REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1z1w_1_A DATA FIRST_RESID 1 DATA SEQUENCE MEVEKYDLTL DFDIQKRTFN GTETITADAG DIVLDAVGLQ INWMKVNGRD DATA SEQUENCE TAFTYDGQTV RAPGDSQPQK IEISFAGKVS DSLSGIYYAG RENGMITTHF DATA SEQUENCE EATDARRMFP CVDHPAYKAV FAITVVIDKD YDAISNMPPK RIEVSERKVV DATA SEQUENCE EFQDTPRMST YLLYVGIGKF RYEYEKYRDI DLILASLKDI RSKYPLDMAR DATA SEQUENCE KSVEFYENYF GIPYALPKMH LISVPEFGAG AMENWGAITF REIYMDIAEN DATA SEQUENCE SAVTVKRNSA NVIAHEIAHQ WFGDLVTMKW WNDLWLNESF ATFMSYKTMD DATA SEQUENCE TLFPEWSFWG DFFVSRTSGA LRSDSLKNTH PIEVDVRDPD EISQIFDEIS DATA SEQUENCE YGKGASILRM IEDYAGYEEF RKGISKYLND HKFGNAEGSD LWTAIEDVSG DATA SEQUENCE KPVKRVMEYW IKNPGYPVIK LKRNGRKITM YQTRFLLNGE EEGRWPVPVN DATA SEQUENCE IKKKDGVERI LLEDEASIEA DGLIKINADS AGFYRVLYDD ATFSDVMGHY DATA SEQUENCE RDLSPLDRIG LVDDLFAFLL SGHIDPETYR QRIRNFFDDE DHNVITAIVG DATA SEQUENCE QMEYLRMLTH AFDDDARAFC RSRMQFLTGK QDENLKIALG RVSRLYVMVD DATA SEQUENCE ESYAEEMSKL FKDFDSAEPE MRSSIATAYA LVTGDLKGLL EKFRSVDRDE DATA SEQUENCE DRVRIISAFG KLKSNTDLST VYGMVEKTEI KKQDMISFFS SALETLPGRE DATA SEQUENCE FIFANLDRII RLVIRYFTGN RTASRTVEMM IPVIGLDHPD AEDIVRNIGS DATA SEQUENCE KNISMGLAKG IEMLAVNRKL VERIRQTAVK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.418 176.300 0.197 0.000 1.140 1 M CA 0.000 55.333 55.300 0.055 0.000 0.988 1 M CB 0.000 32.604 32.600 0.006 0.000 1.302 2 E N 2.169 122.471 120.200 0.170 0.000 2.217 2 E HA 0.461 4.811 4.350 0.001 0.000 0.279 2 E C -1.027 175.598 176.600 0.040 0.000 1.068 2 E CA -0.140 56.342 56.400 0.137 0.000 0.882 2 E CB 1.535 31.261 29.700 0.044 0.000 1.039 2 E HN 0.501 nan 8.360 nan 0.000 0.418 3 V N 3.284 123.217 119.914 0.031 0.000 2.513 3 V HA 0.106 4.226 4.120 0.001 0.000 0.299 3 V C 1.397 177.409 176.094 -0.138 0.000 1.035 3 V CA -0.401 61.818 62.300 -0.135 0.000 0.889 3 V CB 1.817 33.460 31.823 -0.300 0.000 0.988 3 V HN 0.714 nan 8.190 nan 0.000 0.440 4 E N 3.859 123.951 120.200 -0.181 0.000 2.201 4 E HA 0.158 4.508 4.350 0.001 0.000 0.193 4 E C 0.613 177.106 176.600 -0.178 0.000 0.957 4 E CA 0.356 56.674 56.400 -0.136 0.000 0.858 4 E CB 0.561 30.200 29.700 -0.102 0.000 0.816 4 E HN 0.580 nan 8.360 nan 0.000 0.475 5 K N -0.422 119.815 120.400 -0.271 0.000 2.546 5 K HA 0.229 4.550 4.320 0.001 0.000 0.264 5 K C -2.148 174.242 176.600 -0.350 0.000 0.937 5 K CA -0.655 55.483 56.287 -0.249 0.000 0.833 5 K CB 1.451 33.878 32.500 -0.123 0.000 1.378 5 K HN -0.052 nan 8.250 nan 0.000 0.432 6 Y N 1.428 121.593 120.300 -0.225 0.000 2.326 6 Y HA 0.217 4.769 4.550 0.002 0.000 0.331 6 Y C -0.459 175.437 175.900 -0.008 0.000 0.962 6 Y CA -0.694 57.352 58.100 -0.090 0.000 1.167 6 Y CB 1.729 40.142 38.460 -0.078 0.000 1.148 6 Y HN 0.441 nan 8.280 nan 0.000 0.463 7 D N 4.619 125.118 120.400 0.164 0.000 2.479 7 D HA 0.167 4.808 4.640 0.001 0.000 0.247 7 D C -1.381 175.002 176.300 0.139 0.000 1.119 7 D CA -0.320 53.754 54.000 0.124 0.000 0.922 7 D CB 0.672 41.517 40.800 0.075 0.000 1.014 7 D HN 0.434 nan 8.370 nan 0.000 0.510 8 L N 2.360 123.666 121.223 0.139 0.000 2.312 8 L HA 0.456 4.796 4.340 0.001 0.000 0.281 8 L C -0.460 176.449 176.870 0.065 0.000 1.070 8 L CA 0.127 55.028 54.840 0.101 0.000 0.805 8 L CB 1.807 43.846 42.059 -0.034 0.000 1.174 8 L HN 0.039 nan 8.230 nan 0.000 0.434 9 T N 6.436 121.015 114.554 0.042 0.000 2.847 9 T HA 0.502 4.853 4.350 0.001 0.000 0.291 9 T C -0.605 174.056 174.700 -0.065 0.000 0.998 9 T CA -0.254 61.851 62.100 0.008 0.000 0.967 9 T CB 0.598 69.465 68.868 -0.002 0.000 0.954 9 T HN 0.410 nan 8.240 nan 0.000 0.441 10 L N 3.557 124.737 121.223 -0.071 0.000 2.295 10 L HA 0.420 4.760 4.340 0.001 0.000 0.281 10 L C 0.018 176.686 176.870 -0.336 0.000 1.018 10 L CA -0.850 53.816 54.840 -0.290 0.000 0.841 10 L CB 1.099 42.905 42.059 -0.421 0.000 1.218 10 L HN 0.543 nan 8.230 nan 0.000 0.424 11 D N 3.982 124.204 120.400 -0.297 0.000 2.365 11 D HA 0.228 4.868 4.640 0.001 0.000 0.237 11 D C -0.693 175.483 176.300 -0.208 0.000 1.190 11 D CA -0.124 53.788 54.000 -0.147 0.000 0.867 11 D CB 0.582 41.327 40.800 -0.091 0.000 1.050 11 D HN 0.052 nan 8.370 nan 0.000 0.491 12 F N 1.623 121.603 119.950 0.049 0.000 2.403 12 F HA 0.246 4.774 4.527 0.001 0.000 0.326 12 F C 1.054 176.867 175.800 0.022 0.000 1.081 12 F CA -0.740 57.301 58.000 0.068 0.000 1.041 12 F CB 1.138 40.141 39.000 0.005 0.000 1.234 12 F HN 0.143 nan 8.300 nan 0.000 0.503 13 D N 2.120 122.664 120.400 0.240 0.000 2.408 13 D HA 0.264 4.905 4.640 0.001 0.000 0.261 13 D C 0.745 177.105 176.300 0.100 0.000 1.190 13 D CA -0.194 53.873 54.000 0.111 0.000 0.910 13 D CB 0.652 41.496 40.800 0.073 0.000 1.097 13 D HN 0.314 nan 8.370 nan 0.000 0.522 14 I N 2.357 122.933 120.570 0.009 0.000 2.248 14 I HA -0.318 3.853 4.170 0.001 0.000 0.248 14 I C 2.233 178.341 176.117 -0.016 0.000 1.107 14 I CA 1.338 62.606 61.300 -0.053 0.000 1.373 14 I CB -0.196 37.621 38.000 -0.305 0.000 1.055 14 I HN 0.335 nan 8.210 nan 0.000 0.418 15 Q N 0.683 120.475 119.800 -0.014 0.000 1.942 15 Q HA -0.123 4.218 4.340 0.001 0.000 0.203 15 Q C 2.073 178.066 176.000 -0.011 0.000 0.987 15 Q CA 1.405 57.201 55.803 -0.012 0.000 0.844 15 Q CB -0.342 28.396 28.738 0.000 0.000 0.911 15 Q HN 0.247 nan 8.270 nan 0.000 0.423 16 K N 0.520 120.926 120.400 0.010 0.000 2.515 16 K HA 0.008 4.328 4.320 0.001 0.000 0.196 16 K C -0.103 176.515 176.600 0.031 0.000 1.038 16 K CA 0.287 56.582 56.287 0.014 0.000 0.967 16 K CB 0.155 32.666 32.500 0.017 0.000 0.780 16 K HN 0.158 nan 8.250 nan 0.000 0.483 17 R N 0.438 120.971 120.500 0.056 0.000 3.531 17 R HA -0.123 4.218 4.340 0.001 0.000 0.280 17 R C 0.224 176.634 176.300 0.185 0.000 1.130 17 R CA 1.259 57.428 56.100 0.114 0.000 0.757 17 R CB -2.976 27.356 30.300 0.053 0.000 1.218 17 R HN 0.581 nan 8.270 nan 0.000 0.454 18 T N -2.891 111.777 114.554 0.190 0.000 2.716 18 T HA 0.913 5.263 4.350 0.001 0.000 0.286 18 T C -0.325 174.511 174.700 0.226 0.000 1.052 18 T CA -0.659 61.520 62.100 0.131 0.000 1.024 18 T CB 2.615 71.467 68.868 -0.026 0.000 1.349 18 T HN 0.447 nan 8.240 nan 0.000 0.525 19 F N -1.525 118.390 119.950 -0.058 0.000 2.690 19 F HA 0.599 5.126 4.527 -0.000 0.000 0.311 19 F C -1.733 173.912 175.800 -0.258 0.000 1.111 19 F CA -1.273 56.580 58.000 -0.245 0.000 1.003 19 F CB 0.645 39.297 39.000 -0.581 0.000 1.283 19 F HN 0.685 nan 8.300 nan 0.000 0.442 20 N N 1.006 119.606 118.700 -0.167 0.000 2.425 20 N HA 0.635 5.376 4.740 0.001 0.000 0.268 20 N C -0.432 174.864 175.510 -0.357 0.000 0.991 20 N CA -0.841 52.046 53.050 -0.271 0.000 0.931 20 N CB 1.970 40.339 38.487 -0.197 0.000 1.130 20 N HN 1.016 nan 8.380 nan 0.000 0.493 21 G N 0.750 109.106 108.800 -0.741 0.000 2.448 21 G HA2 0.631 4.591 3.960 0.001 0.000 0.324 21 G HA3 0.631 4.591 3.960 0.001 0.000 0.324 21 G C -0.835 173.217 174.900 -1.412 0.000 1.203 21 G CA -0.252 44.197 45.100 -1.086 0.000 0.954 21 G HN 0.336 nan 8.290 nan 0.000 0.480 22 T N 0.535 114.720 114.554 -0.614 0.000 2.933 22 T HA 0.610 4.960 4.350 0.001 0.000 0.305 22 T C -0.771 173.960 174.700 0.053 0.000 1.092 22 T CA -0.648 61.282 62.100 -0.284 0.000 1.008 22 T CB 2.080 70.830 68.868 -0.195 0.000 1.102 22 T HN 0.836 nan 8.240 nan 0.000 0.469 23 E N 0.159 120.462 120.200 0.172 0.000 2.433 23 E HA 0.703 5.053 4.350 0.001 0.000 0.278 23 E C -1.590 175.090 176.600 0.133 0.000 0.976 23 E CA -1.068 55.458 56.400 0.209 0.000 0.793 23 E CB 1.811 31.733 29.700 0.369 0.000 1.311 23 E HN 0.337 nan 8.360 nan 0.000 0.460 24 T N 1.923 116.550 114.554 0.123 0.000 3.068 24 T HA 0.353 4.704 4.350 0.001 0.000 0.364 24 T C -0.228 174.490 174.700 0.030 0.000 1.161 24 T CA -0.499 61.643 62.100 0.070 0.000 1.155 24 T CB -0.148 68.754 68.868 0.056 0.000 1.060 24 T HN 0.349 nan 8.240 nan 0.000 0.513 25 I N 2.808 123.377 120.570 -0.002 0.000 2.452 25 I HA 0.138 4.309 4.170 0.001 0.000 0.287 25 I C 0.637 176.666 176.117 -0.147 0.000 1.079 25 I CA 0.019 61.231 61.300 -0.147 0.000 1.387 25 I CB 0.624 38.536 38.000 -0.147 0.000 1.404 25 I HN 0.386 nan 8.210 nan 0.000 0.522 26 T N 6.984 121.420 114.554 -0.197 0.000 3.005 26 T HA 0.515 4.865 4.350 0.001 0.000 0.323 26 T C 0.344 174.946 174.700 -0.163 0.000 1.131 26 T CA -0.361 61.658 62.100 -0.135 0.000 0.977 26 T CB 0.514 69.317 68.868 -0.109 0.000 1.055 26 T HN 0.735 nan 8.240 nan 0.000 0.562 27 A N 3.227 125.973 122.820 -0.124 0.000 2.869 27 A HA 0.848 5.169 4.320 0.001 0.000 0.244 27 A C -0.535 177.013 177.584 -0.059 0.000 1.374 27 A CA -0.735 51.239 52.037 -0.105 0.000 0.913 27 A CB 0.623 19.567 19.000 -0.094 0.000 1.589 27 A HN 0.548 nan 8.150 nan 0.000 0.485 28 D N -0.695 119.682 120.400 -0.038 0.000 2.340 28 D HA 0.570 5.211 4.640 0.001 0.000 0.240 28 D C 0.166 176.459 176.300 -0.012 0.000 1.001 28 D CA 0.389 54.376 54.000 -0.022 0.000 0.888 28 D CB 1.602 42.394 40.800 -0.014 0.000 1.310 28 D HN 0.759 nan 8.370 nan 0.000 0.474 29 A N 0.623 123.438 122.820 -0.008 0.000 2.613 29 A HA 0.451 4.771 4.320 0.001 0.000 0.230 29 A C 0.847 178.432 177.584 0.001 0.000 1.051 29 A CA 1.108 53.144 52.037 -0.002 0.000 0.754 29 A CB -0.434 18.565 19.000 -0.001 0.000 0.979 29 A HN 0.889 nan 8.150 nan 0.000 0.510 30 G N 1.560 110.363 108.800 0.004 0.000 2.340 30 G HA2 0.324 4.285 3.960 0.001 0.000 0.527 30 G HA3 0.324 4.285 3.960 0.001 0.000 0.527 30 G C -1.100 173.806 174.900 0.009 0.000 1.381 30 G CA -0.344 44.760 45.100 0.007 0.000 1.001 30 G HN 0.882 nan 8.290 nan 0.000 0.626 31 D N -0.542 119.865 120.400 0.011 0.000 2.378 31 D HA 0.382 5.023 4.640 0.001 0.000 0.238 31 D C 0.835 177.142 176.300 0.012 0.000 1.180 31 D CA 0.462 54.471 54.000 0.016 0.000 0.895 31 D CB 0.703 41.513 40.800 0.017 0.000 1.192 31 D HN 0.463 nan 8.370 nan 0.000 0.438 32 I N 1.327 121.908 120.570 0.019 0.000 2.312 32 I HA 0.222 4.392 4.170 0.001 0.000 0.290 32 I C -0.262 175.861 176.117 0.010 0.000 1.008 32 I CA -0.709 60.597 61.300 0.010 0.000 1.226 32 I CB 1.442 39.451 38.000 0.016 0.000 1.371 32 I HN -0.078 nan 8.210 nan 0.000 0.468 33 V N 8.552 128.461 119.914 -0.009 0.000 2.462 33 V HA 0.543 4.664 4.120 0.001 0.000 0.288 33 V C -1.010 175.063 176.094 -0.034 0.000 1.020 33 V CA -0.201 62.093 62.300 -0.011 0.000 0.857 33 V CB 1.437 33.253 31.823 -0.013 0.000 1.013 33 V HN 0.579 nan 8.190 nan 0.000 0.431 34 L N 4.759 125.957 121.223 -0.041 0.000 2.323 34 L HA 0.712 5.052 4.340 0.001 0.000 0.265 34 L C -0.569 176.254 176.870 -0.079 0.000 1.012 34 L CA -0.912 53.883 54.840 -0.074 0.000 0.820 34 L CB 2.236 44.227 42.059 -0.112 0.000 1.334 34 L HN 0.479 nan 8.230 nan 0.000 0.427 35 D N 1.667 121.998 120.400 -0.114 0.000 2.210 35 D HA 0.594 5.234 4.640 0.001 0.000 0.249 35 D C -0.574 175.623 176.300 -0.173 0.000 1.078 35 D CA 0.114 54.053 54.000 -0.103 0.000 0.875 35 D CB 2.164 42.901 40.800 -0.104 0.000 1.175 35 D HN 0.592 nan 8.370 nan 0.000 0.440 36 A N 1.938 124.714 122.820 -0.073 0.000 2.491 36 A HA 0.492 4.812 4.320 0.001 0.000 0.293 36 A C -1.290 176.356 177.584 0.103 0.000 1.047 36 A CA -0.637 51.340 52.037 -0.100 0.000 0.735 36 A CB 1.195 20.027 19.000 -0.279 0.000 1.281 36 A HN 0.273 nan 8.150 nan 0.000 0.398 37 V N 1.453 121.400 119.914 0.056 0.000 2.588 37 V HA 0.695 4.815 4.120 0.001 0.000 0.304 37 V C 1.205 177.370 176.094 0.119 0.000 1.042 37 V CA 0.557 62.918 62.300 0.102 0.000 0.877 37 V CB 1.447 33.295 31.823 0.042 0.000 0.996 37 V HN 2.360 nan 8.190 nan 0.000 0.425 38 G N 4.250 113.136 108.800 0.143 0.000 2.187 38 G HA2 -0.231 3.729 3.960 0.001 0.000 0.261 38 G HA3 -0.231 3.729 3.960 0.001 0.000 0.261 38 G C -0.080 174.895 174.900 0.126 0.000 1.000 38 G CA 0.695 45.870 45.100 0.125 0.000 0.718 38 G HN 0.559 nan 8.290 nan 0.000 0.519 39 L N -0.285 121.028 121.223 0.149 0.000 2.325 39 L HA 0.462 4.802 4.340 0.001 0.000 0.278 39 L C 0.576 177.490 176.870 0.074 0.000 1.023 39 L CA -0.817 54.063 54.840 0.067 0.000 0.811 39 L CB 1.583 43.624 42.059 -0.030 0.000 1.249 39 L HN 0.083 nan 8.230 nan 0.000 0.431 40 Q N 3.637 123.464 119.800 0.045 0.000 2.349 40 Q HA 0.342 4.682 4.340 0.001 0.000 0.254 40 Q C -0.711 175.292 176.000 0.006 0.000 0.980 40 Q CA -0.549 55.295 55.803 0.068 0.000 0.924 40 Q CB 1.709 30.477 28.738 0.050 0.000 1.209 40 Q HN 0.385 nan 8.270 nan 0.000 0.445 41 I N 3.549 124.078 120.570 -0.069 0.000 2.278 41 I HA 0.015 4.185 4.170 0.001 0.000 0.296 41 I C 0.985 177.142 176.117 0.067 0.000 1.121 41 I CA 0.210 61.401 61.300 -0.181 0.000 1.267 41 I CB -0.541 37.103 38.000 -0.593 0.000 1.447 41 I HN 0.630 nan 8.210 nan 0.000 0.509 42 N N 6.772 125.493 118.700 0.034 0.000 2.004 42 N HA -0.084 4.657 4.740 0.001 0.000 0.196 42 N C 0.227 175.963 175.510 0.378 0.000 1.064 42 N CA 1.673 54.824 53.050 0.167 0.000 0.855 42 N CB 0.046 38.577 38.487 0.073 0.000 1.056 42 N HN 0.706 nan 8.380 nan 0.000 0.423 43 W N -1.127 120.270 121.300 0.162 0.000 3.018 43 W HA 0.645 5.305 4.660 -0.000 0.000 0.352 43 W C -1.518 175.068 176.519 0.112 0.000 1.230 43 W CA -0.784 56.708 57.345 0.246 0.000 1.162 43 W CB 0.754 30.316 29.460 0.170 0.000 1.483 43 W HN -0.137 nan 8.180 nan 0.000 0.584 44 M N 1.522 121.467 119.600 0.576 0.000 2.593 44 M HA 0.563 5.043 4.480 0.001 0.000 0.290 44 M C -1.732 174.849 176.300 0.469 0.000 1.244 44 M CA -0.440 55.060 55.300 0.333 0.000 0.857 44 M CB 2.988 35.684 32.600 0.159 0.000 1.738 44 M HN 0.522 nan 8.290 nan 0.000 0.461 45 K N 2.146 122.747 120.400 0.336 0.000 2.525 45 K HA 0.566 4.886 4.320 0.001 0.000 0.254 45 K C -1.845 174.853 176.600 0.164 0.000 0.934 45 K CA -0.823 55.625 56.287 0.269 0.000 0.802 45 K CB 2.860 35.558 32.500 0.329 0.000 1.295 45 K HN 0.456 nan 8.250 nan 0.000 0.433 46 V N 2.953 122.939 119.914 0.120 0.000 2.304 46 V HA 0.215 4.336 4.120 0.001 0.000 0.278 46 V C -0.044 176.089 176.094 0.064 0.000 1.018 46 V CA -0.694 61.654 62.300 0.080 0.000 0.814 46 V CB 0.327 32.190 31.823 0.067 0.000 1.021 46 V HN 0.966 nan 8.190 nan 0.000 0.440 47 N N 3.784 122.518 118.700 0.058 0.000 2.783 47 N HA -0.182 4.558 4.740 0.001 0.000 0.247 47 N C 1.011 176.550 175.510 0.048 0.000 1.089 47 N CA 0.430 53.507 53.050 0.044 0.000 0.690 47 N CB -0.900 37.606 38.487 0.031 0.000 0.991 47 N HN 1.316 nan 8.380 nan 0.000 0.552 48 G N 0.108 108.948 108.800 0.068 0.000 2.155 48 G HA2 -0.380 3.580 3.960 0.001 0.000 0.257 48 G HA3 -0.380 3.580 3.960 0.001 0.000 0.257 48 G C 0.015 174.944 174.900 0.047 0.000 0.983 48 G CA 0.685 45.822 45.100 0.060 0.000 0.676 48 G HN 0.594 nan 8.290 nan 0.000 0.528 49 R N 0.507 121.043 120.500 0.061 0.000 2.337 49 R HA 0.418 4.759 4.340 0.001 0.000 0.319 49 R C -0.416 175.929 176.300 0.075 0.000 0.954 49 R CA -0.685 55.445 56.100 0.049 0.000 0.840 49 R CB 0.509 30.834 30.300 0.042 0.000 1.164 49 R HN 0.191 nan 8.270 nan 0.000 0.472 50 D N 2.244 122.679 120.400 0.057 0.000 2.658 50 D HA -0.067 4.573 4.640 0.001 0.000 0.230 50 D C -0.894 175.474 176.300 0.113 0.000 1.118 50 D CA 1.321 55.375 54.000 0.091 0.000 0.848 50 D CB 0.771 41.586 40.800 0.025 0.000 1.160 50 D HN 0.331 nan 8.370 nan 0.000 0.497 51 T N 2.693 117.353 114.554 0.177 0.000 2.863 51 T HA 0.661 5.012 4.350 0.001 0.000 0.285 51 T C -0.381 174.442 174.700 0.206 0.000 1.009 51 T CA -0.669 61.530 62.100 0.164 0.000 0.989 51 T CB 1.690 70.657 68.868 0.164 0.000 1.004 51 T HN 0.480 nan 8.240 nan 0.000 0.455 52 A N 2.854 125.747 122.820 0.121 0.000 2.363 52 A HA 0.759 5.079 4.320 0.001 0.000 0.270 52 A C -0.433 177.216 177.584 0.108 0.000 1.121 52 A CA -0.480 51.580 52.037 0.039 0.000 0.800 52 A CB -0.328 18.661 19.000 -0.018 0.000 1.052 52 A HN 0.762 nan 8.150 nan 0.000 0.493 53 F N -0.103 119.891 119.950 0.073 0.000 2.679 53 F HA 0.887 5.414 4.527 -0.001 0.000 0.341 53 F C -0.235 175.613 175.800 0.080 0.000 1.095 53 F CA -0.970 57.072 58.000 0.070 0.000 1.004 53 F CB 1.211 40.251 39.000 0.068 0.000 1.388 53 F HN 0.332 nan 8.300 nan 0.000 0.505 54 T N 0.992 115.785 114.554 0.398 0.000 2.848 54 T HA 0.423 4.773 4.350 0.001 0.000 0.285 54 T C -2.212 172.782 174.700 0.490 0.000 0.995 54 T CA -0.366 61.902 62.100 0.280 0.000 0.970 54 T CB 1.237 70.196 68.868 0.152 0.000 0.976 54 T HN 0.671 nan 8.240 nan 0.000 0.441 55 Y N 3.226 123.683 120.300 0.261 0.000 2.333 55 Y HA 0.375 4.926 4.550 0.001 0.000 0.324 55 Y C -0.341 175.624 175.900 0.109 0.000 1.033 55 Y CA -2.197 56.024 58.100 0.202 0.000 1.224 55 Y CB 0.984 39.614 38.460 0.283 0.000 1.120 55 Y HN 0.769 nan 8.280 nan 0.000 0.457 56 D N 2.132 122.367 120.400 -0.275 0.000 2.358 56 D HA 0.314 4.954 4.640 0.001 0.000 0.224 56 D C 1.556 177.550 176.300 -0.509 0.000 1.123 56 D CA 0.500 54.313 54.000 -0.311 0.000 0.833 56 D CB 0.318 41.044 40.800 -0.124 0.000 0.946 56 D HN 0.841 nan 8.370 nan 0.000 0.505 57 G N -0.421 107.664 108.800 -1.192 0.000 2.175 57 G HA2 -0.365 3.595 3.960 0.001 0.000 0.244 57 G HA3 -0.365 3.595 3.960 0.001 0.000 0.244 57 G C 1.016 175.742 174.900 -0.289 0.000 0.982 57 G CA 0.529 45.135 45.100 -0.824 0.000 0.641 57 G HN 0.385 nan 8.290 nan 0.000 0.527 58 Q N -1.087 118.613 119.800 -0.168 0.000 2.563 58 Q HA 0.325 4.665 4.340 0.001 0.000 0.236 58 Q C 0.656 176.733 176.000 0.128 0.000 0.792 58 Q CA 1.541 57.362 55.803 0.029 0.000 0.960 58 Q CB 1.024 29.753 28.738 -0.014 0.000 1.304 58 Q HN 0.438 nan 8.270 nan 0.000 0.566 59 T N -0.050 114.583 114.554 0.132 0.000 2.861 59 T HA 0.604 4.954 4.350 0.001 0.000 0.287 59 T C -1.147 173.705 174.700 0.253 0.000 1.003 59 T CA -0.535 61.650 62.100 0.142 0.000 0.977 59 T CB 2.065 70.972 68.868 0.065 0.000 0.996 59 T HN -0.143 nan 8.240 nan 0.000 0.448 60 V N 4.210 124.214 119.914 0.151 0.000 2.304 60 V HA 0.372 4.492 4.120 0.001 0.000 0.269 60 V C 0.314 176.460 176.094 0.087 0.000 1.036 60 V CA -0.597 61.774 62.300 0.117 0.000 0.840 60 V CB 0.264 31.990 31.823 -0.161 0.000 1.036 60 V HN 0.654 nan 8.190 nan 0.000 0.466 61 R N 3.265 123.858 120.500 0.155 0.000 2.474 61 R HA 0.889 5.230 4.340 0.001 0.000 0.295 61 R C -0.330 176.068 176.300 0.162 0.000 0.980 61 R CA -0.335 55.836 56.100 0.118 0.000 0.934 61 R CB 2.089 32.447 30.300 0.096 0.000 1.101 61 R HN 0.739 nan 8.270 nan 0.000 0.469 62 A N 3.300 126.191 122.820 0.119 0.000 2.608 62 A HA 0.476 4.796 4.320 0.001 0.000 0.292 62 A C -2.760 174.876 177.584 0.085 0.000 1.066 62 A CA -1.580 50.539 52.037 0.136 0.000 0.676 62 A CB 1.623 20.733 19.000 0.183 0.000 1.277 62 A HN 0.407 nan 8.150 nan 0.000 0.413 63 P HA 0.244 nan 4.420 nan 0.000 0.263 63 P C 0.575 177.904 177.300 0.048 0.000 1.247 63 P CA 0.867 64.000 63.100 0.055 0.000 0.876 63 P CB 0.330 32.062 31.700 0.052 0.000 0.928 64 G N 3.076 111.897 108.800 0.036 0.000 2.636 64 G HA2 0.104 4.065 3.960 0.001 0.000 0.246 64 G HA3 0.104 4.065 3.960 0.001 0.000 0.246 64 G C -0.609 174.306 174.900 0.024 0.000 1.216 64 G CA -0.247 44.870 45.100 0.027 0.000 0.854 64 G HN 0.366 nan 8.290 nan 0.000 0.572 65 D N -0.678 119.733 120.400 0.020 0.000 2.252 65 D HA 0.377 5.018 4.640 0.001 0.000 0.245 65 D C 0.305 176.611 176.300 0.011 0.000 1.009 65 D CA -0.362 53.648 54.000 0.017 0.000 0.870 65 D CB 2.067 42.879 40.800 0.020 0.000 1.251 65 D HN 0.318 nan 8.370 nan 0.000 0.460 66 S N 2.335 118.041 115.700 0.010 0.000 2.576 66 S HA 0.070 4.540 4.470 0.001 0.000 0.272 66 S C -0.354 174.248 174.600 0.003 0.000 1.352 66 S CA 0.089 58.292 58.200 0.006 0.000 1.021 66 S CB 0.233 63.436 63.200 0.006 0.000 0.887 66 S HN 0.553 nan 8.310 nan 0.000 0.542 67 Q N 0.120 119.920 119.800 0.001 0.000 3.217 67 Q HA -0.129 4.211 4.340 0.001 0.000 0.025 67 Q C -2.705 173.292 176.000 -0.004 0.000 1.708 67 Q CA 0.333 56.134 55.803 -0.002 0.000 0.234 67 Q CB -1.907 26.830 28.738 -0.001 0.000 0.989 67 Q HN 0.637 nan 8.270 nan 0.000 0.321 68 P HA -0.131 nan 4.420 nan 0.000 0.255 68 P C -0.147 177.146 177.300 -0.012 0.000 1.161 68 P CA 0.941 64.033 63.100 -0.014 0.000 0.768 68 P CB 0.215 31.904 31.700 -0.017 0.000 0.746 69 Q N 1.969 121.760 119.800 -0.014 0.000 2.240 69 Q HA 0.646 4.986 4.340 0.001 0.000 0.260 69 Q C -0.665 175.326 176.000 -0.014 0.000 1.018 69 Q CA -1.178 54.620 55.803 -0.008 0.000 0.898 69 Q CB 1.475 30.213 28.738 -0.000 0.000 1.301 69 Q HN -0.011 nan 8.270 nan 0.000 0.469 70 K N 1.370 121.770 120.400 0.000 0.000 2.575 70 K HA 0.416 4.736 4.320 0.001 0.000 0.236 70 K C -1.446 175.166 176.600 0.019 0.000 0.976 70 K CA -0.120 56.168 56.287 0.002 0.000 0.985 70 K CB 0.748 33.257 32.500 0.015 0.000 1.198 70 K HN 0.558 nan 8.250 nan 0.000 0.464 71 I N 2.306 122.878 120.570 0.004 0.000 2.352 71 I HA 0.218 4.389 4.170 0.001 0.000 0.290 71 I C 0.230 176.366 176.117 0.031 0.000 1.036 71 I CA -0.357 60.954 61.300 0.018 0.000 1.336 71 I CB 1.071 39.066 38.000 -0.008 0.000 1.407 71 I HN 0.504 nan 8.210 nan 0.000 0.497 72 E N 7.845 128.083 120.200 0.063 0.000 2.199 72 E HA 0.688 5.039 4.350 0.001 0.000 0.269 72 E C -1.372 175.204 176.600 -0.040 0.000 0.899 72 E CA -0.643 55.791 56.400 0.056 0.000 0.772 72 E CB 1.676 31.467 29.700 0.151 0.000 1.155 72 E HN 0.546 nan 8.360 nan 0.000 0.408 73 I N 2.672 123.153 120.570 -0.149 0.000 2.607 73 I HA 0.207 4.378 4.170 0.001 0.000 0.290 73 I C -0.504 175.380 176.117 -0.388 0.000 1.129 73 I CA -0.806 60.318 61.300 -0.293 0.000 1.042 73 I CB 2.200 40.102 38.000 -0.165 0.000 1.242 73 I HN 0.364 nan 8.210 nan 0.000 0.421 74 S N 5.914 121.076 115.700 -0.898 0.000 2.525 74 S HA 0.894 5.364 4.470 0.001 0.000 0.290 74 S C -0.784 173.615 174.600 -0.336 0.000 1.152 74 S CA -0.284 57.409 58.200 -0.844 0.000 1.072 74 S CB 0.710 63.028 63.200 -1.471 0.000 1.027 74 S HN 0.476 nan 8.310 nan 0.000 0.500 75 F N 0.676 120.430 119.950 -0.325 0.000 2.877 75 F HA 0.896 5.423 4.527 -0.001 0.000 0.319 75 F C -0.854 174.840 175.800 -0.177 0.000 1.174 75 F CA -1.022 56.837 58.000 -0.235 0.000 0.903 75 F CB 0.824 39.687 39.000 -0.229 0.000 1.357 75 F HN 0.759 nan 8.300 nan 0.000 0.472 76 A N -0.111 122.681 122.820 -0.047 0.000 2.606 76 A HA 0.960 5.280 4.320 0.001 0.000 0.293 76 A C -0.856 176.527 177.584 -0.335 0.000 1.082 76 A CA -0.285 51.584 52.037 -0.281 0.000 0.685 76 A CB 1.297 20.153 19.000 -0.240 0.000 1.284 76 A HN 2.094 nan 8.150 nan 0.000 0.408 77 G N -0.194 108.055 108.800 -0.918 0.000 2.663 77 G HA2 0.631 4.591 3.960 0.001 0.000 0.299 77 G HA3 0.631 4.591 3.960 0.001 0.000 0.299 77 G C -1.686 172.730 174.900 -0.806 0.000 1.372 77 G CA -0.725 43.905 45.100 -0.784 0.000 0.781 77 G HN 0.677 nan 8.290 nan 0.000 0.491 78 K N -0.351 119.928 120.400 -0.201 0.000 2.316 78 K HA 0.565 4.885 4.320 0.001 0.000 0.251 78 K C -0.862 175.971 176.600 0.389 0.000 0.934 78 K CA -0.801 55.526 56.287 0.066 0.000 0.802 78 K CB 3.027 35.567 32.500 0.067 0.000 1.171 78 K HN 0.192 nan 8.250 nan 0.000 0.426 79 V N 2.689 122.863 119.914 0.433 0.000 2.352 79 V HA -0.001 4.119 4.120 0.001 0.000 0.253 79 V C 0.697 176.995 176.094 0.340 0.000 1.083 79 V CA -0.098 62.473 62.300 0.451 0.000 0.993 79 V CB 0.441 32.514 31.823 0.417 0.000 1.111 79 V HN 0.849 nan 8.190 nan 0.000 0.490 80 S N 3.532 119.438 115.700 0.344 0.000 2.553 80 S HA -0.057 4.413 4.470 0.001 0.000 0.271 80 S C 0.960 175.747 174.600 0.311 0.000 1.362 80 S CA 0.230 58.600 58.200 0.285 0.000 1.010 80 S CB 0.423 63.790 63.200 0.278 0.000 0.865 80 S HN 0.778 nan 8.310 nan 0.000 0.543 81 D N 0.195 120.731 120.400 0.226 0.000 2.389 81 D HA 0.150 4.790 4.640 0.001 0.000 0.206 81 D C 0.406 176.812 176.300 0.176 0.000 1.055 81 D CA 0.345 54.478 54.000 0.222 0.000 0.856 81 D CB 0.308 41.191 40.800 0.138 0.000 0.957 81 D HN 0.569 nan 8.370 nan 0.000 0.509 82 S N 0.068 115.827 115.700 0.098 0.000 2.654 82 S HA 0.375 4.846 4.470 0.001 0.000 0.283 82 S C 0.143 174.573 174.600 -0.283 0.000 1.180 82 S CA -0.834 57.341 58.200 -0.041 0.000 1.021 82 S CB 2.033 65.218 63.200 -0.025 0.000 1.018 82 S HN 0.112 nan 8.310 nan 0.000 0.532 83 L N 2.616 123.528 121.223 -0.519 0.000 2.623 83 L HA 0.394 4.735 4.340 0.001 0.000 0.281 83 L C -0.178 176.403 176.870 -0.482 0.000 1.150 83 L CA 0.390 54.604 54.840 -1.043 0.000 0.965 83 L CB -0.364 41.299 42.059 -0.661 0.000 1.303 83 L HN 0.942 nan 8.230 nan 0.000 0.467 84 S N 2.680 118.230 115.700 -0.249 0.000 2.709 84 S HA 0.498 4.969 4.470 0.001 0.000 0.305 84 S C 0.024 174.869 174.600 0.409 0.000 0.974 84 S CA 0.059 58.367 58.200 0.180 0.000 0.837 84 S CB 0.428 63.680 63.200 0.087 0.000 1.032 84 S HN 1.247 nan 8.310 nan 0.000 0.461 85 G N 3.602 112.695 108.800 0.488 0.000 2.622 85 G HA2 -0.261 3.699 3.960 0.001 0.000 0.307 85 G HA3 -0.261 3.699 3.960 0.001 0.000 0.307 85 G C -0.062 175.229 174.900 0.650 0.000 1.226 85 G CA 0.544 45.997 45.100 0.588 0.000 0.997 85 G HN 1.742 nan 8.290 nan 0.000 0.551 86 I N 2.179 123.059 120.570 0.516 0.000 2.306 86 I HA 0.699 4.870 4.170 0.001 0.000 0.288 86 I C 0.055 176.399 176.117 0.378 0.000 1.036 86 I CA -1.328 60.186 61.300 0.357 0.000 1.221 86 I CB -0.096 38.069 38.000 0.274 0.000 1.385 86 I HN 0.741 nan 8.210 nan 0.000 0.472 87 Y N 5.414 125.837 120.300 0.205 0.000 2.790 87 Y HA 0.616 5.166 4.550 0.001 0.000 0.323 87 Y C -1.846 174.173 175.900 0.198 0.000 1.230 87 Y CA -1.561 56.669 58.100 0.216 0.000 1.121 87 Y CB 0.703 39.282 38.460 0.198 0.000 1.328 87 Y HN 0.402 nan 8.280 nan 0.000 0.514 88 Y N 1.538 122.006 120.300 0.280 0.000 2.331 88 Y HA 0.757 5.308 4.550 0.000 0.000 0.338 88 Y C -0.647 175.424 175.900 0.284 0.000 0.992 88 Y CA -0.981 57.203 58.100 0.139 0.000 1.121 88 Y CB 1.122 39.667 38.460 0.141 0.000 1.184 88 Y HN 0.942 nan 8.280 nan 0.000 0.469 89 A N 4.334 127.010 122.820 -0.240 0.000 2.317 89 A HA 0.819 5.139 4.320 0.001 0.000 0.327 89 A C 0.247 177.773 177.584 -0.097 0.000 1.178 89 A CA 0.038 52.102 52.037 0.045 0.000 0.817 89 A CB 0.325 19.378 19.000 0.088 0.000 1.189 89 A HN 1.671 nan 8.150 nan 0.000 0.489 90 G N 1.291 110.155 108.800 0.107 0.000 2.756 90 G HA2 -0.098 3.863 3.960 0.001 0.000 0.678 90 G HA3 -0.098 3.863 3.960 0.001 0.000 0.678 90 G C 0.034 175.095 174.900 0.268 0.000 1.349 90 G CA 0.127 45.298 45.100 0.119 0.000 0.847 90 G HN 0.951 nan 8.290 nan 0.000 0.548 91 R N 0.009 120.636 120.500 0.211 0.000 1.752 91 R HA 0.409 4.750 4.340 0.001 0.000 0.123 91 R C 1.000 177.430 176.300 0.216 0.000 1.996 91 R CA -0.050 56.176 56.100 0.211 0.000 1.800 91 R CB -0.211 30.159 30.300 0.116 0.000 1.356 91 R HN 0.693 nan 8.270 nan 0.000 0.507 92 E N 2.329 122.603 120.200 0.124 0.000 2.376 92 E HA -0.076 4.275 4.350 0.001 0.000 0.266 92 E C -0.768 175.894 176.600 0.103 0.000 1.009 92 E CA 0.054 56.514 56.400 0.100 0.000 0.902 92 E CB 0.191 29.925 29.700 0.056 0.000 0.972 92 E HN 0.376 nan 8.360 nan 0.000 0.439 93 N N 2.186 120.955 118.700 0.115 0.000 2.758 93 N HA -0.160 4.580 4.740 0.001 0.000 0.248 93 N C -0.093 175.453 175.510 0.059 0.000 1.076 93 N CA 0.817 53.905 53.050 0.063 0.000 0.696 93 N CB -1.843 36.642 38.487 -0.003 0.000 0.979 93 N HN 0.567 nan 8.380 nan 0.000 0.550 94 G N -0.010 108.891 108.800 0.169 0.000 2.543 94 G HA2 0.767 4.728 3.960 0.001 0.000 0.267 94 G HA3 0.767 4.728 3.960 0.001 0.000 0.267 94 G C 0.377 175.126 174.900 -0.251 0.000 1.406 94 G CA -0.383 44.695 45.100 -0.037 0.000 1.048 94 G HN 0.343 nan 8.290 nan 0.000 0.548 95 M N -0.911 118.330 119.600 -0.597 0.000 2.386 95 M HA 0.592 5.072 4.480 0.001 0.000 0.293 95 M C -1.430 174.494 176.300 -0.626 0.000 1.120 95 M CA -0.721 54.306 55.300 -0.455 0.000 0.909 95 M CB 2.223 34.719 32.600 -0.173 0.000 1.661 95 M HN 0.237 nan 8.290 nan 0.000 0.452 96 I N 2.414 122.745 120.570 -0.399 0.000 2.496 96 I HA 0.414 4.585 4.170 0.001 0.000 0.285 96 I C 0.288 176.165 176.117 -0.401 0.000 1.080 96 I CA 0.372 61.463 61.300 -0.348 0.000 1.404 96 I CB 1.421 39.228 38.000 -0.321 0.000 1.403 96 I HN 0.873 nan 8.210 nan 0.000 0.539 97 T N 3.752 117.996 114.554 -0.516 0.000 2.792 97 T HA 0.589 4.939 4.350 0.001 0.000 0.303 97 T C -0.590 173.755 174.700 -0.591 0.000 1.310 97 T CA -0.486 61.293 62.100 -0.536 0.000 1.007 97 T CB 1.660 70.302 68.868 -0.377 0.000 1.335 97 T HN 0.717 nan 8.240 nan 0.000 0.504 98 T N -0.227 114.021 114.554 -0.509 0.000 2.926 98 T HA 0.736 5.087 4.350 0.001 0.000 0.289 98 T C -1.170 173.539 174.700 0.015 0.000 1.054 98 T CA -0.590 61.303 62.100 -0.346 0.000 1.015 98 T CB 1.581 69.943 68.868 -0.844 0.000 1.167 98 T HN 0.853 nan 8.240 nan 0.000 0.526 99 H N 0.079 119.108 119.070 -0.068 0.000 3.288 99 H HA 0.308 4.865 4.556 0.001 0.000 0.337 99 H C -1.197 174.300 175.328 0.283 0.000 1.363 99 H CA -1.041 55.101 56.048 0.156 0.000 1.641 99 H CB -0.060 29.959 29.762 0.428 0.000 2.077 99 H HN 0.672 nan 8.280 nan 0.000 0.522 100 F N 1.729 121.626 119.950 -0.088 0.000 2.692 100 F HA 0.067 4.595 4.527 0.001 0.000 0.303 100 F C 1.173 176.912 175.800 -0.103 0.000 1.114 100 F CA -0.323 57.653 58.000 -0.041 0.000 1.361 100 F CB 0.360 39.398 39.000 0.065 0.000 1.063 100 F HN 0.455 nan 8.300 nan 0.000 0.550 101 E N 2.230 122.276 120.200 -0.257 0.000 3.490 101 E HA -0.067 4.283 4.350 0.001 0.000 0.232 101 E C 0.778 177.238 176.600 -0.233 0.000 0.943 101 E CA 0.602 56.888 56.400 -0.190 0.000 0.933 101 E CB -0.026 29.515 29.700 -0.264 0.000 0.890 101 E HN 0.556 nan 8.360 nan 0.000 0.576 102 A N 3.184 125.737 122.820 -0.446 0.000 3.666 102 A HA -0.264 4.056 4.320 0.001 0.000 0.290 102 A C 0.930 178.194 177.584 -0.534 0.000 2.152 102 A CA 1.113 52.431 52.037 -1.197 0.000 0.885 102 A CB -1.818 16.560 19.000 -1.038 0.000 1.306 102 A HN 1.083 nan 8.150 nan 0.000 0.547 103 T N -3.412 110.937 114.554 -0.341 0.000 3.584 103 T HA 0.597 4.948 4.350 0.001 0.000 0.259 103 T C -0.333 174.315 174.700 -0.087 0.000 1.009 103 T CA 0.636 62.650 62.100 -0.144 0.000 1.103 103 T CB 0.409 69.183 68.868 -0.157 0.000 1.099 103 T HN 0.457 nan 8.240 nan 0.000 0.539 104 D N 0.647 121.028 120.400 -0.031 0.000 2.398 104 D HA 0.292 4.932 4.640 0.001 0.000 0.210 104 D C 1.927 178.044 176.300 -0.304 0.000 1.094 104 D CA 0.110 54.096 54.000 -0.023 0.000 0.839 104 D CB 0.806 41.701 40.800 0.158 0.000 0.963 104 D HN 0.597 nan 8.370 nan 0.000 0.506 105 A N 1.890 124.348 122.820 -0.604 0.000 1.969 105 A HA -0.201 4.119 4.320 0.001 0.000 0.218 105 A C 2.162 179.313 177.584 -0.722 0.000 1.169 105 A CA 0.838 52.106 52.037 -1.283 0.000 0.635 105 A CB -0.504 18.034 19.000 -0.771 0.000 0.810 105 A HN 0.257 nan 8.150 nan 0.000 0.445 106 R N -0.345 119.874 120.500 -0.469 0.000 2.303 106 R HA -0.081 4.260 4.340 0.001 0.000 0.225 106 R C 1.426 177.590 176.300 -0.226 0.000 1.114 106 R CA 1.414 57.289 56.100 -0.376 0.000 1.007 106 R CB -0.402 29.762 30.300 -0.226 0.000 0.861 106 R HN 0.453 nan 8.270 nan 0.000 0.471 107 R N 0.034 120.446 120.500 -0.146 0.000 2.310 107 R HA 0.157 4.497 4.340 0.001 0.000 0.202 107 R C 1.770 178.168 176.300 0.164 0.000 0.933 107 R CA 0.660 56.780 56.100 0.034 0.000 1.054 107 R CB 0.124 30.487 30.300 0.106 0.000 0.985 107 R HN 0.315 nan 8.270 nan 0.000 0.489 108 M N -0.037 119.622 119.600 0.099 0.000 2.449 108 M HA 0.223 4.703 4.480 0.001 0.000 0.262 108 M C -0.970 175.611 176.300 0.468 0.000 1.152 108 M CA 0.406 55.894 55.300 0.312 0.000 1.104 108 M CB 1.022 33.783 32.600 0.269 0.000 1.416 108 M HN -0.034 nan 8.290 nan 0.000 0.519 109 F N -0.972 118.868 119.950 -0.184 0.000 2.686 109 F HA 0.557 5.084 4.527 -0.000 0.000 0.315 109 F C -3.230 172.273 175.800 -0.496 0.000 1.088 109 F CA -1.827 55.886 58.000 -0.478 0.000 1.034 109 F CB -0.056 38.826 39.000 -0.197 0.000 1.280 109 F HN -0.190 nan 8.300 nan 0.000 0.463 110 P HA 0.244 nan 4.420 nan 0.000 0.267 110 P C -0.536 176.454 177.300 -0.516 0.000 1.209 110 P CA 0.261 63.006 63.100 -0.592 0.000 0.763 110 P CB 1.020 32.402 31.700 -0.531 0.000 0.816 111 C N 0.643 119.653 119.300 -0.483 0.000 3.295 111 C HA 0.390 4.850 4.460 0.001 0.000 0.341 111 C C -0.121 174.794 174.990 -0.125 0.000 1.418 111 C CA -0.867 57.984 59.018 -0.280 0.000 1.240 111 C CB 0.684 27.906 27.740 -0.864 0.000 1.562 111 C HN 0.284 nan 8.230 nan 0.000 0.457 112 V N 1.958 121.923 119.914 0.085 0.000 2.223 112 V HA 0.177 4.297 4.120 0.001 0.000 0.249 112 V C 0.566 176.713 176.094 0.088 0.000 1.233 112 V CA 0.713 63.035 62.300 0.036 0.000 1.131 112 V CB -0.256 31.585 31.823 0.031 0.000 1.298 112 V HN 0.877 nan 8.190 nan 0.000 0.498 113 D N 3.287 123.696 120.400 0.015 0.000 2.736 113 D HA -0.000 4.640 4.640 0.001 0.000 0.228 113 D C 0.031 176.473 176.300 0.236 0.000 1.077 113 D CA 0.392 54.433 54.000 0.068 0.000 1.096 113 D CB -0.461 40.313 40.800 -0.043 0.000 1.138 113 D HN 0.747 nan 8.370 nan 0.000 0.461 114 H N 0.108 119.313 119.070 0.225 0.000 2.667 114 H HA 0.306 4.862 4.556 0.001 0.000 0.353 114 H C -1.774 173.782 175.328 0.380 0.000 1.072 114 H CA -1.614 54.640 56.048 0.344 0.000 1.214 114 H CB 2.182 32.097 29.762 0.255 0.000 1.600 114 H HN -0.096 nan 8.280 nan 0.000 0.527 115 P HA -0.112 nan 4.420 nan 0.000 0.222 115 P C 0.645 178.116 177.300 0.286 0.000 1.147 115 P CA 1.268 64.476 63.100 0.179 0.000 0.790 115 P CB 0.234 31.719 31.700 -0.359 0.000 0.780 116 A N -1.588 121.596 122.820 0.606 0.000 2.208 116 A HA -0.009 4.311 4.320 0.001 0.000 0.209 116 A C 0.495 178.082 177.584 0.004 0.000 1.161 116 A CA 0.222 52.413 52.037 0.257 0.000 0.782 116 A CB -0.924 18.199 19.000 0.204 0.000 0.816 116 A HN 0.093 nan 8.150 nan 0.000 0.477 117 Y N 1.741 122.166 120.300 0.209 0.000 2.849 117 Y HA 0.270 4.820 4.550 -0.000 0.000 0.356 117 Y C 0.504 176.535 175.900 0.218 0.000 1.236 117 Y CA -0.941 57.256 58.100 0.162 0.000 1.508 117 Y CB -0.091 38.462 38.460 0.156 0.000 1.619 117 Y HN 0.113 nan 8.280 nan 0.000 0.513 118 K N 1.458 121.988 120.400 0.215 0.000 2.230 118 K HA 0.668 4.989 4.320 0.001 0.000 0.253 118 K C -0.031 176.710 176.600 0.235 0.000 1.008 118 K CA -0.053 56.389 56.287 0.259 0.000 0.910 118 K CB 0.669 33.272 32.500 0.171 0.000 0.994 118 K HN 0.496 nan 8.250 nan 0.000 0.495 119 A N 0.374 123.352 122.820 0.265 0.000 2.515 119 A HA 0.368 4.689 4.320 0.001 0.000 0.292 119 A C -1.485 176.113 177.584 0.023 0.000 1.065 119 A CA -0.805 51.268 52.037 0.061 0.000 0.641 119 A CB 0.900 19.872 19.000 -0.048 0.000 1.306 119 A HN 0.296 nan 8.150 nan 0.000 0.441 120 V N 0.682 120.540 119.914 -0.093 0.000 2.465 120 V HA 0.513 4.634 4.120 0.001 0.000 0.279 120 V C -1.021 174.999 176.094 -0.123 0.000 1.045 120 V CA 0.212 62.512 62.300 0.001 0.000 0.938 120 V CB 0.566 32.386 31.823 -0.005 0.000 0.986 120 V HN 0.572 nan 8.190 nan 0.000 0.467 121 F N 3.136 123.191 119.950 0.174 0.000 2.449 121 F HA 0.677 5.205 4.527 0.003 0.000 0.342 121 F C 0.441 176.304 175.800 0.105 0.000 1.127 121 F CA -0.554 57.545 58.000 0.165 0.000 0.975 121 F CB 1.638 40.709 39.000 0.118 0.000 1.146 121 F HN 0.500 nan 8.300 nan 0.000 0.444 122 A N 6.101 129.059 122.820 0.230 0.000 2.273 122 A HA 0.722 5.042 4.320 0.001 0.000 0.320 122 A C -0.485 177.207 177.584 0.180 0.000 1.358 122 A CA -0.451 51.690 52.037 0.175 0.000 0.910 122 A CB -0.136 18.934 19.000 0.116 0.000 1.159 122 A HN 0.750 nan 8.150 nan 0.000 0.526 123 I N 2.085 122.780 120.570 0.208 0.000 2.392 123 I HA 0.437 4.608 4.170 0.001 0.000 0.295 123 I C -0.125 176.178 176.117 0.310 0.000 0.985 123 I CA -0.178 61.244 61.300 0.203 0.000 1.221 123 I CB 2.206 40.279 38.000 0.122 0.000 1.366 123 I HN 0.501 nan 8.210 nan 0.000 0.467 124 T N 5.292 119.972 114.554 0.209 0.000 2.881 124 T HA 0.541 4.892 4.350 0.001 0.000 0.290 124 T C -0.626 174.174 174.700 0.166 0.000 1.000 124 T CA -0.603 61.591 62.100 0.156 0.000 0.978 124 T CB 2.054 70.966 68.868 0.074 0.000 0.997 124 T HN 0.453 nan 8.240 nan 0.000 0.443 125 V N 0.425 120.448 119.914 0.182 0.000 2.789 125 V HA 0.904 5.024 4.120 0.001 0.000 0.311 125 V C -0.789 175.405 176.094 0.166 0.000 1.073 125 V CA -0.909 61.536 62.300 0.242 0.000 0.921 125 V CB 1.792 33.850 31.823 0.391 0.000 1.009 125 V HN 0.635 nan 8.190 nan 0.000 0.426 126 V N 6.307 126.327 119.914 0.177 0.000 2.394 126 V HA 0.681 4.801 4.120 0.001 0.000 0.282 126 V C 0.241 176.431 176.094 0.159 0.000 1.031 126 V CA -0.071 62.300 62.300 0.118 0.000 0.881 126 V CB 0.876 32.738 31.823 0.065 0.000 0.982 126 V HN 1.043 nan 8.190 nan 0.000 0.451 127 I N -0.031 120.598 120.570 0.099 0.000 3.493 127 I HA 0.719 4.890 4.170 0.001 0.000 0.315 127 I C -1.170 174.972 176.117 0.042 0.000 1.202 127 I CA -1.206 60.127 61.300 0.057 0.000 0.943 127 I CB 2.049 40.064 38.000 0.026 0.000 1.349 127 I HN 0.272 nan 8.210 nan 0.000 0.480 128 D N 1.585 121.992 120.400 0.012 0.000 2.382 128 D HA 0.185 4.826 4.640 0.001 0.000 0.245 128 D C 0.691 177.082 176.300 0.152 0.000 1.120 128 D CA -0.136 53.918 54.000 0.089 0.000 0.890 128 D CB 1.464 42.348 40.800 0.140 0.000 1.201 128 D HN 0.464 nan 8.370 nan 0.000 0.433 129 K N 1.101 121.569 120.400 0.112 0.000 2.127 129 K HA -0.219 4.102 4.320 0.001 0.000 0.208 129 K C 0.802 177.466 176.600 0.107 0.000 1.047 129 K CA 1.779 58.121 56.287 0.092 0.000 0.927 129 K CB -0.163 32.376 32.500 0.064 0.000 0.716 129 K HN 0.546 nan 8.250 nan 0.000 0.450 130 D N -1.363 119.118 120.400 0.135 0.000 2.363 130 D HA -0.079 4.561 4.640 0.001 0.000 0.226 130 D C -0.276 176.020 176.300 -0.007 0.000 1.020 130 D CA 0.449 54.488 54.000 0.065 0.000 0.892 130 D CB -0.033 40.787 40.800 0.033 0.000 0.900 130 D HN 0.102 nan 8.370 nan 0.000 0.531 131 Y N 0.466 120.753 120.300 -0.021 0.000 2.446 131 Y HA 0.434 4.985 4.550 0.001 0.000 0.338 131 Y C 0.075 175.972 175.900 -0.006 0.000 1.055 131 Y CA -1.268 56.795 58.100 -0.062 0.000 1.101 131 Y CB 1.450 39.859 38.460 -0.085 0.000 1.221 131 Y HN -0.204 nan 8.280 nan 0.000 0.460 132 D N 0.771 121.253 120.400 0.136 0.000 2.326 132 D HA 0.722 5.362 4.640 0.001 0.000 0.248 132 D C -1.036 175.463 176.300 0.331 0.000 1.001 132 D CA -0.441 53.718 54.000 0.264 0.000 0.961 132 D CB 1.842 42.921 40.800 0.465 0.000 1.183 132 D HN 0.596 nan 8.370 nan 0.000 0.502 133 A N 0.951 123.995 122.820 0.374 0.000 2.386 133 A HA 0.754 5.074 4.320 0.001 0.000 0.311 133 A C -0.868 177.003 177.584 0.478 0.000 1.068 133 A CA -0.572 51.717 52.037 0.420 0.000 0.743 133 A CB 0.826 20.066 19.000 0.399 0.000 1.258 133 A HN 0.492 nan 8.150 nan 0.000 0.429 134 I N 1.117 121.865 120.570 0.295 0.000 2.545 134 I HA 0.617 4.787 4.170 0.001 0.000 0.292 134 I C 0.280 176.291 176.117 -0.176 0.000 1.040 134 I CA -0.283 61.021 61.300 0.006 0.000 1.068 134 I CB 2.276 40.082 38.000 -0.323 0.000 1.251 134 I HN 0.669 nan 8.210 nan 0.000 0.424 135 S N 2.748 118.206 115.700 -0.403 0.000 2.903 135 S HA 0.381 4.852 4.470 0.001 0.000 0.314 135 S C 0.565 175.022 174.600 -0.238 0.000 1.177 135 S CA -0.660 57.225 58.200 -0.524 0.000 0.859 135 S CB 1.344 63.687 63.200 -1.429 0.000 1.265 135 S HN 0.662 nan 8.310 nan 0.000 0.584 136 N N 0.380 118.958 118.700 -0.203 0.000 2.166 136 N HA -0.007 4.734 4.740 0.001 0.000 0.186 136 N C 0.157 175.615 175.510 -0.087 0.000 1.019 136 N CA 1.116 54.110 53.050 -0.093 0.000 0.856 136 N CB -0.173 38.278 38.487 -0.060 0.000 0.993 136 N HN 0.426 nan 8.380 nan 0.000 0.426 137 M N 0.357 119.910 119.600 -0.079 0.000 2.644 137 M HA 0.451 4.931 4.480 0.001 0.000 0.316 137 M C -2.378 174.034 176.300 0.186 0.000 1.200 137 M CA -2.574 52.742 55.300 0.027 0.000 0.944 137 M CB 1.162 33.795 32.600 0.054 0.000 1.691 137 M HN -0.293 nan 8.290 nan 0.000 0.471 138 P HA 0.272 nan 4.420 nan 0.000 0.273 138 P C -2.546 174.915 177.300 0.268 0.000 1.250 138 P CA -0.893 62.341 63.100 0.222 0.000 0.793 138 P CB -0.448 31.322 31.700 0.116 0.000 1.011 139 P HA 0.124 nan 4.420 nan 0.000 0.275 139 P C 0.477 177.766 177.300 -0.018 0.000 1.227 139 P CA 0.022 63.109 63.100 -0.022 0.000 0.781 139 P CB 0.617 32.248 31.700 -0.115 0.000 0.906 140 K N 2.768 123.138 120.400 -0.050 0.000 2.168 140 K HA 0.105 4.425 4.320 0.001 0.000 0.201 140 K C 0.467 177.039 176.600 -0.047 0.000 1.049 140 K CA 0.625 56.898 56.287 -0.024 0.000 0.974 140 K CB 0.357 32.855 32.500 -0.004 0.000 0.792 140 K HN 0.237 nan 8.250 nan 0.000 0.463 141 R N 0.382 120.831 120.500 -0.085 0.000 2.566 141 R HA 0.390 4.730 4.340 0.001 0.000 0.271 141 R C -1.781 174.458 176.300 -0.102 0.000 1.071 141 R CA -0.480 55.577 56.100 -0.072 0.000 0.915 141 R CB 1.391 31.662 30.300 -0.049 0.000 1.228 141 R HN 0.036 nan 8.270 nan 0.000 0.449 142 I N 3.079 123.605 120.570 -0.074 0.000 2.439 142 I HA 0.337 4.508 4.170 0.001 0.000 0.285 142 I C -0.834 175.260 176.117 -0.038 0.000 1.021 142 I CA -0.588 60.670 61.300 -0.069 0.000 1.091 142 I CB 2.159 40.125 38.000 -0.057 0.000 1.242 142 I HN 0.529 nan 8.210 nan 0.000 0.439 143 E N 5.464 125.646 120.200 -0.030 0.000 2.218 143 E HA 0.563 4.913 4.350 0.001 0.000 0.263 143 E C -1.281 175.317 176.600 -0.003 0.000 0.879 143 E CA -0.625 55.767 56.400 -0.014 0.000 0.762 143 E CB 3.167 32.859 29.700 -0.013 0.000 1.166 143 E HN 0.225 nan 8.360 nan 0.000 0.415 144 V N 2.057 121.974 119.914 0.004 0.000 2.581 144 V HA 0.556 4.677 4.120 0.001 0.000 0.303 144 V C 0.120 176.222 176.094 0.013 0.000 1.041 144 V CA -0.161 62.147 62.300 0.013 0.000 0.907 144 V CB 1.713 33.547 31.823 0.019 0.000 0.994 144 V HN 0.762 nan 8.190 nan 0.000 0.442 145 S N 1.506 117.216 115.700 0.017 0.000 4.390 145 S HA 0.151 4.621 4.470 0.001 0.000 0.188 145 S C 1.248 175.859 174.600 0.019 0.000 1.268 145 S CA 0.508 58.717 58.200 0.015 0.000 1.105 145 S CB 0.051 63.258 63.200 0.012 0.000 2.050 145 S HN 0.847 nan 8.310 nan 0.000 0.689 146 E N 0.469 120.681 120.200 0.019 0.000 2.107 146 E HA 0.025 4.375 4.350 0.001 0.000 0.191 146 E C 0.421 177.037 176.600 0.027 0.000 0.982 146 E CA 0.674 57.086 56.400 0.021 0.000 0.809 146 E CB 0.176 29.887 29.700 0.018 0.000 0.756 146 E HN 0.192 nan 8.360 nan 0.000 0.459 147 R N -0.318 120.199 120.500 0.027 0.000 2.885 147 R HA 0.379 4.719 4.340 0.001 0.000 0.260 147 R C -0.870 175.451 176.300 0.034 0.000 1.107 147 R CA -0.793 55.328 56.100 0.035 0.000 0.978 147 R CB 1.174 31.495 30.300 0.034 0.000 1.227 147 R HN -0.133 nan 8.270 nan 0.000 0.473 148 K N 1.298 121.723 120.400 0.042 0.000 2.244 148 K HA 0.397 4.717 4.320 0.001 0.000 0.260 148 K C -1.279 175.339 176.600 0.029 0.000 0.951 148 K CA -0.442 55.867 56.287 0.036 0.000 0.826 148 K CB 1.642 34.172 32.500 0.051 0.000 1.108 148 K HN 0.252 nan 8.250 nan 0.000 0.433 149 V N 4.876 124.794 119.914 0.006 0.000 2.357 149 V HA 0.255 4.375 4.120 0.001 0.000 0.284 149 V C -0.592 175.466 176.094 -0.060 0.000 1.018 149 V CA -0.883 61.412 62.300 -0.008 0.000 0.841 149 V CB 1.571 33.390 31.823 -0.007 0.000 0.991 149 V HN 0.521 nan 8.190 nan 0.000 0.437 150 V N 5.112 124.963 119.914 -0.104 0.000 2.311 150 V HA 0.353 4.473 4.120 0.001 0.000 0.275 150 V C 0.200 176.044 176.094 -0.417 0.000 1.022 150 V CA -0.588 61.536 62.300 -0.293 0.000 0.830 150 V CB 1.190 32.782 31.823 -0.384 0.000 1.012 150 V HN 0.869 nan 8.190 nan 0.000 0.452 151 E N 4.384 124.387 120.200 -0.328 0.000 2.167 151 E HA 0.446 4.796 4.350 0.001 0.000 0.284 151 E C -1.121 175.296 176.600 -0.305 0.000 1.016 151 E CA -0.290 55.986 56.400 -0.207 0.000 0.817 151 E CB 1.202 30.853 29.700 -0.082 0.000 1.080 151 E HN 0.504 nan 8.360 nan 0.000 0.397 152 F N 1.682 121.652 119.950 0.033 0.000 2.397 152 F HA 0.176 4.703 4.527 0.000 0.000 0.331 152 F C 1.139 176.956 175.800 0.028 0.000 1.090 152 F CA -0.708 57.310 58.000 0.031 0.000 1.065 152 F CB 0.891 39.911 39.000 0.033 0.000 1.184 152 F HN 0.273 nan 8.300 nan 0.000 0.499 153 Q N 1.022 120.947 119.800 0.208 0.000 2.479 153 Q HA 0.026 4.366 4.340 0.001 0.000 0.267 153 Q C -0.864 175.206 176.000 0.117 0.000 1.071 153 Q CA -0.301 55.569 55.803 0.113 0.000 0.935 153 Q CB 0.341 29.120 28.738 0.069 0.000 1.295 153 Q HN 0.439 nan 8.270 nan 0.000 0.476 154 D N 1.687 122.132 120.400 0.074 0.000 2.425 154 D HA 0.019 4.659 4.640 0.001 0.000 0.247 154 D C 0.020 176.355 176.300 0.057 0.000 1.147 154 D CA 0.204 54.250 54.000 0.077 0.000 0.879 154 D CB 0.616 41.442 40.800 0.043 0.000 1.179 154 D HN 0.464 nan 8.370 nan 0.000 0.456 155 T N 0.003 114.620 114.554 0.105 0.000 2.828 155 T HA 0.497 4.847 4.350 0.001 0.000 0.290 155 T C -2.350 172.402 174.700 0.087 0.000 1.019 155 T CA -1.483 60.664 62.100 0.077 0.000 1.031 155 T CB 1.143 70.127 68.868 0.193 0.000 1.001 155 T HN 0.012 nan 8.240 nan 0.000 0.531 156 P HA 0.335 nan 4.420 nan 0.000 0.279 156 P C -0.335 177.139 177.300 0.290 0.000 1.282 156 P CA -0.893 62.256 63.100 0.081 0.000 0.788 156 P CB 0.396 32.184 31.700 0.148 0.000 1.139 157 R N 0.917 121.557 120.500 0.233 0.000 2.484 157 R HA 0.285 4.625 4.340 0.001 0.000 0.293 157 R C 0.442 177.014 176.300 0.453 0.000 1.023 157 R CA 0.605 56.880 56.100 0.293 0.000 1.037 157 R CB -0.515 29.894 30.300 0.181 0.000 0.951 157 R HN 0.578 nan 8.270 nan 0.000 0.418 158 M N -1.157 118.723 119.600 0.468 0.000 2.755 158 M HA 0.471 4.951 4.480 0.001 0.000 0.273 158 M C -1.030 175.477 176.300 0.345 0.000 1.278 158 M CA -1.009 54.497 55.300 0.343 0.000 0.819 158 M CB 2.082 34.952 32.600 0.451 0.000 1.694 158 M HN 0.160 nan 8.290 nan 0.000 0.460 159 S N 0.800 116.585 115.700 0.141 0.000 2.586 159 S HA 0.290 4.760 4.470 0.001 0.000 0.274 159 S C 1.205 175.880 174.600 0.126 0.000 1.281 159 S CA -0.099 58.223 58.200 0.204 0.000 1.035 159 S CB 1.500 64.803 63.200 0.172 0.000 0.962 159 S HN 0.850 nan 8.310 nan 0.000 0.512 160 T N 0.081 114.782 114.554 0.246 0.000 2.759 160 T HA -0.261 4.090 4.350 0.001 0.000 0.269 160 T C 1.676 176.485 174.700 0.182 0.000 1.042 160 T CA 1.837 63.999 62.100 0.103 0.000 1.140 160 T CB -0.868 68.093 68.868 0.154 0.000 0.864 160 T HN 0.805 nan 8.240 nan 0.000 0.455 161 Y N 1.551 121.964 120.300 0.188 0.000 2.574 161 Y HA 0.361 4.912 4.550 0.000 0.000 0.294 161 Y C 1.612 177.640 175.900 0.213 0.000 1.142 161 Y CA -0.084 58.180 58.100 0.273 0.000 1.314 161 Y CB -0.755 37.887 38.460 0.303 0.000 0.991 161 Y HN 0.207 nan 8.280 nan 0.000 0.555 162 L N 0.700 121.652 121.223 -0.451 0.000 2.628 162 L HA 0.228 4.568 4.340 0.001 0.000 0.229 162 L C 0.404 177.193 176.870 -0.135 0.000 1.137 162 L CA -0.204 54.397 54.840 -0.399 0.000 0.909 162 L CB -0.040 41.721 42.059 -0.497 0.000 1.137 162 L HN 0.158 nan 8.230 nan 0.000 0.470 163 L N -0.234 120.953 121.223 -0.059 0.000 2.467 163 L HA 0.102 4.442 4.340 0.001 0.000 0.270 163 L C -0.630 176.160 176.870 -0.133 0.000 1.205 163 L CA 0.238 55.030 54.840 -0.081 0.000 0.828 163 L CB 0.500 42.561 42.059 0.004 0.000 1.101 163 L HN -0.020 nan 8.230 nan 0.000 0.479 164 Y N 1.622 121.750 120.300 -0.286 0.000 2.544 164 Y HA 0.637 5.188 4.550 0.001 0.000 0.342 164 Y C -1.318 174.379 175.900 -0.339 0.000 1.062 164 Y CA -0.817 57.065 58.100 -0.364 0.000 1.023 164 Y CB 1.828 40.106 38.460 -0.303 0.000 1.308 164 Y HN 0.143 nan 8.280 nan 0.000 0.457 165 V N 3.992 123.092 119.914 -1.356 0.000 2.697 165 V HA 0.747 4.867 4.120 0.001 0.000 0.300 165 V C -0.545 174.848 176.094 -1.168 0.000 1.115 165 V CA -0.272 61.479 62.300 -0.914 0.000 0.912 165 V CB 1.809 33.351 31.823 -0.468 0.000 1.024 165 V HN 1.053 nan 8.190 nan 0.000 0.431 166 G N 4.288 112.700 108.800 -0.646 0.000 2.687 166 G HA2 0.819 4.779 3.960 0.001 0.000 0.301 166 G HA3 0.819 4.779 3.960 0.001 0.000 0.301 166 G C -1.418 173.519 174.900 0.061 0.000 1.416 166 G CA -0.484 44.477 45.100 -0.231 0.000 1.005 166 G HN 0.591 nan 8.290 nan 0.000 0.509 167 I N 1.820 122.376 120.570 -0.023 0.000 2.468 167 I HA 0.707 4.877 4.170 0.001 0.000 0.285 167 I C 0.312 176.349 176.117 -0.133 0.000 1.039 167 I CA -0.380 60.886 61.300 -0.057 0.000 1.074 167 I CB 2.207 40.023 38.000 -0.308 0.000 1.228 167 I HN 0.787 nan 8.210 nan 0.000 0.436 168 G N 4.341 112.852 108.800 -0.482 0.000 2.466 168 G HA2 0.314 4.274 3.960 0.001 0.000 0.291 168 G HA3 0.314 4.274 3.960 0.001 0.000 0.291 168 G C -1.547 172.626 174.900 -1.212 0.000 1.460 168 G CA -0.954 43.683 45.100 -0.771 0.000 0.791 168 G HN 0.384 nan 8.290 nan 0.000 0.505 169 K N 1.068 120.901 120.400 -0.945 0.000 2.167 169 K HA 0.285 4.605 4.320 0.001 0.000 0.275 169 K C -0.817 175.468 176.600 -0.525 0.000 1.103 169 K CA 0.095 55.976 56.287 -0.676 0.000 0.963 169 K CB 0.091 32.254 32.500 -0.561 0.000 1.243 169 K HN 0.223 nan 8.250 nan 0.000 0.407 170 F N 1.335 121.151 119.950 -0.224 0.000 2.379 170 F HA 0.352 4.879 4.527 0.000 0.000 0.332 170 F C 0.738 176.184 175.800 -0.589 0.000 1.096 170 F CA -0.961 56.785 58.000 -0.423 0.000 1.105 170 F CB 0.777 39.427 39.000 -0.583 0.000 1.189 170 F HN 0.141 nan 8.300 nan 0.000 0.515 171 R N 1.503 121.805 120.500 -0.330 0.000 2.393 171 R HA 0.479 4.820 4.340 0.001 0.000 0.310 171 R C -1.443 174.573 176.300 -0.474 0.000 0.968 171 R CA -0.723 55.205 56.100 -0.286 0.000 0.867 171 R CB 0.580 30.805 30.300 -0.126 0.000 1.124 171 R HN 0.450 nan 8.270 nan 0.000 0.450 172 Y N 0.270 120.574 120.300 0.006 0.000 2.568 172 Y HA 0.647 5.197 4.550 0.001 0.000 0.327 172 Y C 0.058 175.804 175.900 -0.256 0.000 1.163 172 Y CA -0.928 57.060 58.100 -0.186 0.000 1.219 172 Y CB 1.639 39.954 38.460 -0.242 0.000 1.308 172 Y HN 0.364 nan 8.280 nan 0.000 0.503 173 E N 0.107 120.092 120.200 -0.359 0.000 2.347 173 E HA 0.406 4.756 4.350 0.001 0.000 0.285 173 E C -2.217 174.107 176.600 -0.461 0.000 0.925 173 E CA -0.808 55.452 56.400 -0.234 0.000 0.779 173 E CB 0.946 30.580 29.700 -0.110 0.000 1.233 173 E HN 0.444 nan 8.360 nan 0.000 0.414 174 Y N 1.442 121.759 120.300 0.029 0.000 2.364 174 Y HA 0.659 5.209 4.550 0.000 0.000 0.340 174 Y C 0.152 176.047 175.900 -0.008 0.000 0.975 174 Y CA -0.957 57.142 58.100 -0.002 0.000 1.089 174 Y CB 2.134 40.589 38.460 -0.010 0.000 1.192 174 Y HN 0.382 nan 8.280 nan 0.000 0.454 175 E N 2.219 122.487 120.200 0.115 0.000 2.336 175 E HA 0.617 4.968 4.350 0.001 0.000 0.267 175 E C -1.753 174.895 176.600 0.080 0.000 0.906 175 E CA -1.138 55.303 56.400 0.069 0.000 0.781 175 E CB 1.974 31.683 29.700 0.017 0.000 1.261 175 E HN 0.546 nan 8.360 nan 0.000 0.436 176 K N 1.955 122.401 120.400 0.078 0.000 2.501 176 K HA 0.421 4.741 4.320 0.001 0.000 0.252 176 K C -2.095 174.582 176.600 0.129 0.000 0.934 176 K CA -0.824 55.513 56.287 0.084 0.000 0.797 176 K CB 1.112 33.640 32.500 0.046 0.000 1.270 176 K HN 0.524 nan 8.250 nan 0.000 0.431 177 Y N 5.224 125.533 120.300 0.015 0.000 2.327 177 Y HA 0.414 4.965 4.550 0.001 0.000 0.325 177 Y C 0.048 175.972 175.900 0.040 0.000 0.999 177 Y CA -0.205 57.909 58.100 0.022 0.000 1.195 177 Y CB 0.713 39.187 38.460 0.022 0.000 1.132 177 Y HN 0.925 nan 8.280 nan 0.000 0.455 178 R N 1.289 121.487 120.500 -0.503 0.000 3.974 178 R HA -0.255 4.085 4.340 0.001 0.000 0.376 178 R C -0.118 176.109 176.300 -0.122 0.000 0.241 178 R CA 1.862 57.751 56.100 -0.351 0.000 1.218 178 R CB -1.105 28.947 30.300 -0.414 0.000 1.032 178 R HN 0.831 nan 8.270 nan 0.000 0.547 179 D N 1.520 121.888 120.400 -0.054 0.000 2.395 179 D HA 0.227 4.868 4.640 0.001 0.000 0.226 179 D C 0.269 176.595 176.300 0.044 0.000 1.146 179 D CA 0.351 54.349 54.000 -0.004 0.000 0.830 179 D CB -0.141 40.662 40.800 0.004 0.000 0.958 179 D HN 0.307 nan 8.370 nan 0.000 0.501 180 I N 0.859 121.475 120.570 0.077 0.000 2.378 180 I HA 0.171 4.342 4.170 0.001 0.000 0.291 180 I C -0.205 175.971 176.117 0.098 0.000 0.992 180 I CA -0.852 60.527 61.300 0.131 0.000 1.154 180 I CB 1.609 39.745 38.000 0.228 0.000 1.315 180 I HN -0.255 nan 8.210 nan 0.000 0.448 181 D N 7.799 128.244 120.400 0.075 0.000 2.277 181 D HA 0.323 4.964 4.640 0.001 0.000 0.249 181 D C -0.364 175.947 176.300 0.019 0.000 1.134 181 D CA -0.035 53.997 54.000 0.054 0.000 0.863 181 D CB 1.949 42.776 40.800 0.045 0.000 1.143 181 D HN 0.291 nan 8.370 nan 0.000 0.458 182 L N 4.229 125.462 121.223 0.016 0.000 2.264 182 L HA 0.335 4.675 4.340 0.001 0.000 0.287 182 L C -0.212 176.602 176.870 -0.094 0.000 1.039 182 L CA -0.718 54.094 54.840 -0.046 0.000 0.829 182 L CB 0.809 42.853 42.059 -0.024 0.000 1.211 182 L HN 0.115 nan 8.230 nan 0.000 0.427 183 I N 4.535 124.965 120.570 -0.233 0.000 2.412 183 I HA 0.380 4.550 4.170 0.001 0.000 0.296 183 I C -0.174 175.783 176.117 -0.266 0.000 0.987 183 I CA -0.705 60.373 61.300 -0.371 0.000 1.180 183 I CB 2.029 39.602 38.000 -0.713 0.000 1.340 183 I HN 0.513 nan 8.210 nan 0.000 0.455 184 L N 5.209 126.295 121.223 -0.228 0.000 2.298 184 L HA 0.714 5.054 4.340 0.001 0.000 0.284 184 L C -0.357 176.458 176.870 -0.092 0.000 1.013 184 L CA -0.433 54.330 54.840 -0.128 0.000 0.824 184 L CB 1.389 43.367 42.059 -0.135 0.000 1.221 184 L HN 0.816 nan 8.230 nan 0.000 0.418 185 A N 3.703 126.486 122.820 -0.062 0.000 2.318 185 A HA 0.735 5.055 4.320 0.001 0.000 0.324 185 A C -0.639 176.814 177.584 -0.218 0.000 1.170 185 A CA -0.355 51.557 52.037 -0.207 0.000 0.810 185 A CB 1.744 20.550 19.000 -0.323 0.000 1.198 185 A HN 0.613 nan 8.150 nan 0.000 0.484 186 S N 1.144 116.733 115.700 -0.185 0.000 2.588 186 S HA 0.515 4.985 4.470 0.001 0.000 0.275 186 S C -0.136 174.488 174.600 0.041 0.000 1.130 186 S CA -0.470 57.697 58.200 -0.056 0.000 0.855 186 S CB 1.107 64.267 63.200 -0.066 0.000 1.116 186 S HN 0.574 nan 8.310 nan 0.000 0.472 187 L N 2.322 123.581 121.223 0.061 0.000 2.418 187 L HA 0.371 4.712 4.340 0.001 0.000 0.218 187 L C 0.784 177.634 176.870 -0.033 0.000 1.125 187 L CA 1.249 56.102 54.840 0.021 0.000 0.835 187 L CB -0.778 41.285 42.059 0.008 0.000 0.953 187 L HN 0.709 nan 8.230 nan 0.000 0.454 188 K N -2.396 117.986 120.400 -0.031 0.000 2.466 188 K HA 0.308 4.629 4.320 0.001 0.000 0.260 188 K C -1.001 175.575 176.600 -0.040 0.000 1.011 188 K CA -1.026 55.239 56.287 -0.037 0.000 0.871 188 K CB 0.900 33.384 32.500 -0.027 0.000 1.404 188 K HN -0.373 nan 8.250 nan 0.000 0.450 189 D N 1.315 121.694 120.400 -0.034 0.000 2.658 189 D HA -0.029 4.612 4.640 0.001 0.000 0.230 189 D C -0.253 176.028 176.300 -0.032 0.000 1.118 189 D CA 0.614 54.597 54.000 -0.029 0.000 0.848 189 D CB 0.108 40.895 40.800 -0.022 0.000 1.160 189 D HN 0.341 nan 8.370 nan 0.000 0.497 190 I N 3.667 124.217 120.570 -0.033 0.000 2.347 190 I HA 0.045 4.215 4.170 0.001 0.000 0.294 190 I C 1.940 178.043 176.117 -0.024 0.000 1.090 190 I CA -0.248 61.031 61.300 -0.035 0.000 1.314 190 I CB 0.573 38.546 38.000 -0.044 0.000 1.423 190 I HN 0.353 nan 8.210 nan 0.000 0.503 191 R N 4.381 124.865 120.500 -0.027 0.000 2.154 191 R HA -0.189 4.152 4.340 0.001 0.000 0.236 191 R C 0.687 176.979 176.300 -0.014 0.000 1.121 191 R CA 2.086 58.172 56.100 -0.024 0.000 0.915 191 R CB 0.124 30.404 30.300 -0.033 0.000 0.856 191 R HN 0.780 nan 8.270 nan 0.000 0.431 192 S N -2.320 113.375 115.700 -0.007 0.000 2.638 192 S HA 0.313 4.783 4.470 0.001 0.000 0.274 192 S C -0.469 174.145 174.600 0.023 0.000 1.157 192 S CA -1.057 57.151 58.200 0.015 0.000 0.826 192 S CB 1.876 65.094 63.200 0.030 0.000 1.139 192 S HN 0.261 nan 8.310 nan 0.000 0.474 193 K N -0.074 120.345 120.400 0.032 0.000 2.476 193 K HA 0.118 4.439 4.320 0.001 0.000 0.196 193 K C 0.621 177.230 176.600 0.015 0.000 1.025 193 K CA -0.029 56.263 56.287 0.008 0.000 1.138 193 K CB -0.352 32.151 32.500 0.004 0.000 0.860 193 K HN 0.581 nan 8.250 nan 0.000 0.515 194 Y N 3.180 123.441 120.300 -0.065 0.000 2.081 194 Y HA -0.229 4.321 4.550 0.001 0.000 0.280 194 Y C -0.945 174.897 175.900 -0.097 0.000 1.163 194 Y CA 1.743 59.800 58.100 -0.072 0.000 1.135 194 Y CB -0.855 37.557 38.460 -0.081 0.000 0.970 194 Y HN 0.109 nan 8.280 nan 0.000 0.498 195 P HA -0.230 nan 4.420 nan 0.000 0.216 195 P C 1.817 178.989 177.300 -0.214 0.000 1.150 195 P CA 1.884 64.878 63.100 -0.177 0.000 0.843 195 P CB -0.215 31.374 31.700 -0.185 0.000 0.787 196 L N -0.265 120.862 121.223 -0.159 0.000 2.093 196 L HA -0.137 4.203 4.340 0.001 0.000 0.208 196 L C 2.303 179.078 176.870 -0.159 0.000 1.085 196 L CA 1.546 56.306 54.840 -0.133 0.000 0.755 196 L CB -0.945 41.061 42.059 -0.088 0.000 0.904 196 L HN -0.066 nan 8.230 nan 0.000 0.435 197 D N -0.442 119.832 120.400 -0.209 0.000 2.144 197 D HA -0.210 4.431 4.640 0.001 0.000 0.199 197 D C 2.115 178.240 176.300 -0.291 0.000 0.984 197 D CA 1.348 55.205 54.000 -0.237 0.000 0.834 197 D CB 0.021 40.647 40.800 -0.290 0.000 0.955 197 D HN 0.193 nan 8.370 nan 0.000 0.465 198 M N 0.497 119.867 119.600 -0.383 0.000 2.236 198 M HA 0.055 4.535 4.480 0.001 0.000 0.266 198 M C 1.973 178.140 176.300 -0.221 0.000 1.070 198 M CA 0.695 55.799 55.300 -0.326 0.000 1.137 198 M CB -0.316 32.061 32.600 -0.372 0.000 1.378 198 M HN -0.015 nan 8.290 nan 0.000 0.426 199 A N -0.364 122.346 122.820 -0.185 0.000 1.873 199 A HA -0.194 4.126 4.320 0.001 0.000 0.215 199 A C 2.244 179.751 177.584 -0.128 0.000 1.186 199 A CA 1.967 53.935 52.037 -0.114 0.000 0.616 199 A CB -0.697 18.248 19.000 -0.091 0.000 0.823 199 A HN 0.483 nan 8.150 nan 0.000 0.442 200 R N -0.040 120.373 120.500 -0.146 0.000 2.082 200 R HA -0.186 4.154 4.340 0.001 0.000 0.234 200 R C 2.161 178.291 176.300 -0.284 0.000 1.136 200 R CA 2.121 58.119 56.100 -0.171 0.000 0.935 200 R CB -0.350 29.901 30.300 -0.081 0.000 0.842 200 R HN 0.475 nan 8.270 nan 0.000 0.430 201 K N -0.187 120.075 120.400 -0.230 0.000 2.113 201 K HA -0.122 4.198 4.320 0.001 0.000 0.208 201 K C 2.136 178.575 176.600 -0.270 0.000 1.047 201 K CA 1.948 58.087 56.287 -0.247 0.000 0.928 201 K CB -0.029 32.333 32.500 -0.230 0.000 0.716 201 K HN 0.198 nan 8.250 nan 0.000 0.446 202 S N 0.338 115.895 115.700 -0.239 0.000 2.414 202 S HA -0.055 4.416 4.470 0.001 0.000 0.227 202 S C 1.986 176.533 174.600 -0.088 0.000 1.022 202 S CA 0.693 58.755 58.200 -0.230 0.000 0.958 202 S CB 0.068 63.205 63.200 -0.104 0.000 0.797 202 S HN 0.034 nan 8.310 nan 0.000 0.493 203 V N 1.876 121.748 119.914 -0.070 0.000 2.515 203 V HA -0.139 3.981 4.120 0.001 0.000 0.250 203 V C 2.436 178.431 176.094 -0.165 0.000 1.058 203 V CA 1.660 63.990 62.300 0.050 0.000 1.064 203 V CB -0.505 31.283 31.823 -0.058 0.000 0.675 203 V HN 0.521 nan 8.190 nan 0.000 0.461 204 E N -0.055 119.829 120.200 -0.527 0.000 2.028 204 E HA -0.248 4.102 4.350 0.001 0.000 0.191 204 E C 2.139 178.623 176.600 -0.194 0.000 0.988 204 E CA 1.512 57.625 56.400 -0.479 0.000 0.799 204 E CB -0.234 29.180 29.700 -0.476 0.000 0.755 204 E HN 0.534 nan 8.360 nan 0.000 0.447 205 F N 0.338 120.063 119.950 -0.375 0.000 2.095 205 F HA -0.278 4.250 4.527 0.001 0.000 0.298 205 F C 1.824 177.357 175.800 -0.445 0.000 1.104 205 F CA 1.701 59.442 58.000 -0.432 0.000 1.232 205 F CB -0.349 38.271 39.000 -0.633 0.000 0.987 205 F HN 0.107 nan 8.300 nan 0.000 0.475 206 Y N 1.014 121.107 120.300 -0.345 0.000 2.224 206 Y HA -0.160 4.390 4.550 0.001 0.000 0.289 206 Y C 2.456 178.001 175.900 -0.592 0.000 1.146 206 Y CA 1.582 59.242 58.100 -0.733 0.000 1.182 206 Y CB -1.075 36.869 38.460 -0.861 0.000 0.983 206 Y HN 0.219 nan 8.280 nan 0.000 0.524 207 E N -0.201 119.967 120.200 -0.053 0.000 2.110 207 E HA -0.180 4.170 4.350 0.001 0.000 0.193 207 E C 1.646 178.264 176.600 0.030 0.000 0.988 207 E CA 1.114 57.612 56.400 0.163 0.000 0.804 207 E CB -0.164 29.744 29.700 0.346 0.000 0.745 207 E HN 0.542 nan 8.360 nan 0.000 0.458 208 N N 0.167 118.798 118.700 -0.114 0.000 2.250 208 N HA -0.129 4.612 4.740 0.001 0.000 0.181 208 N C 1.642 176.996 175.510 -0.259 0.000 1.017 208 N CA 0.754 53.712 53.050 -0.153 0.000 0.866 208 N CB -0.387 37.995 38.487 -0.175 0.000 0.985 208 N HN 0.226 nan 8.380 nan 0.000 0.429 209 Y N 0.963 120.893 120.300 -0.618 0.000 2.109 209 Y HA -0.072 4.479 4.550 0.001 0.000 0.285 209 Y C 1.986 177.679 175.900 -0.344 0.000 1.131 209 Y CA 1.589 59.298 58.100 -0.651 0.000 1.121 209 Y CB -0.613 37.168 38.460 -1.132 0.000 0.987 209 Y HN -0.102 nan 8.280 nan 0.000 0.495 210 F N -0.205 119.729 119.950 -0.027 0.000 2.293 210 F HA 0.024 4.551 4.527 0.001 0.000 0.300 210 F C 2.132 177.912 175.800 -0.033 0.000 1.086 210 F CA 0.759 58.740 58.000 -0.031 0.000 1.375 210 F CB -0.500 38.430 39.000 -0.118 0.000 1.045 210 F HN 0.301 nan 8.300 nan 0.000 0.516 211 G N 1.252 110.124 108.800 0.121 0.000 2.148 211 G HA2 -0.316 3.644 3.960 0.001 0.000 0.254 211 G HA3 -0.316 3.644 3.960 0.001 0.000 0.254 211 G C 0.013 175.026 174.900 0.188 0.000 0.981 211 G CA 0.163 45.325 45.100 0.104 0.000 0.670 211 G HN 0.354 nan 8.290 nan 0.000 0.528 212 I N 1.658 122.413 120.570 0.309 0.000 2.545 212 I HA 0.441 4.611 4.170 0.001 0.000 0.292 212 I C -2.215 174.265 176.117 0.605 0.000 1.040 212 I CA -2.647 58.892 61.300 0.399 0.000 1.068 212 I CB 2.886 41.156 38.000 0.449 0.000 1.251 212 I HN -0.113 nan 8.210 nan 0.000 0.424 213 P HA 0.097 nan 4.420 nan 0.000 0.284 213 P C -0.965 176.643 177.300 0.512 0.000 1.258 213 P CA -0.423 62.998 63.100 0.535 0.000 0.824 213 P CB 0.859 32.755 31.700 0.328 0.000 1.038 214 Y N 2.418 122.948 120.300 0.383 0.000 2.904 214 Y HA 0.011 4.562 4.550 0.001 0.000 0.336 214 Y C 1.467 177.297 175.900 -0.116 0.000 1.263 214 Y CA 0.524 58.532 58.100 -0.155 0.000 1.547 214 Y CB 0.244 38.685 38.460 -0.031 0.000 1.272 214 Y HN 0.543 nan 8.280 nan 0.000 0.596 215 A N 6.316 128.739 122.820 -0.660 0.000 2.123 215 A HA 0.173 4.493 4.320 0.001 0.000 0.214 215 A C 0.454 177.653 177.584 -0.641 0.000 1.152 215 A CA 0.314 52.076 52.037 -0.458 0.000 0.728 215 A CB -0.410 18.444 19.000 -0.243 0.000 0.814 215 A HN 0.645 nan 8.150 nan 0.000 0.464 216 L N -0.615 119.872 121.223 -1.228 0.000 2.352 216 L HA 0.314 4.655 4.340 0.001 0.000 0.269 216 L C -1.381 175.298 176.870 -0.320 0.000 1.034 216 L CA -2.132 52.219 54.840 -0.814 0.000 0.806 216 L CB 1.021 42.519 42.059 -0.935 0.000 1.244 216 L HN -0.021 nan 8.230 nan 0.000 0.447 217 P HA -0.081 nan 4.420 nan 0.000 0.229 217 P C -0.583 176.774 177.300 0.094 0.000 1.160 217 P CA 1.167 64.270 63.100 0.005 0.000 0.777 217 P CB 0.205 31.894 31.700 -0.018 0.000 0.814 218 K N -1.621 118.867 120.400 0.146 0.000 2.579 218 K HA 0.616 4.936 4.320 0.001 0.000 0.284 218 K C -1.298 175.422 176.600 0.201 0.000 0.990 218 K CA -0.946 55.429 56.287 0.146 0.000 0.880 218 K CB 0.876 33.410 32.500 0.057 0.000 1.488 218 K HN -0.152 nan 8.250 nan 0.000 0.425 219 M N 2.113 121.741 119.600 0.045 0.000 2.204 219 M HA 0.391 4.871 4.480 0.001 0.000 0.293 219 M C -1.539 174.716 176.300 -0.075 0.000 0.994 219 M CA -0.526 54.779 55.300 0.009 0.000 0.925 219 M CB 1.430 33.929 32.600 -0.168 0.000 1.577 219 M HN 0.768 nan 8.290 nan 0.000 0.439 220 H N 5.563 124.621 119.070 -0.019 0.000 2.473 220 H HA 0.467 5.024 4.556 0.001 0.000 0.327 220 H C -1.162 174.135 175.328 -0.050 0.000 1.105 220 H CA -0.180 55.832 56.048 -0.061 0.000 1.280 220 H CB 1.546 31.237 29.762 -0.118 0.000 1.450 220 H HN 0.673 nan 8.280 nan 0.000 0.492 221 L N 5.899 127.180 121.223 0.098 0.000 2.356 221 L HA 0.239 4.579 4.340 0.001 0.000 0.264 221 L C -0.327 176.605 176.870 0.103 0.000 1.029 221 L CA -0.592 54.364 54.840 0.192 0.000 0.897 221 L CB 0.703 42.821 42.059 0.099 0.000 1.256 221 L HN 0.327 nan 8.230 nan 0.000 0.444 222 I N 0.904 121.478 120.570 0.008 0.000 2.428 222 I HA 0.135 4.306 4.170 0.001 0.000 0.289 222 I C 0.819 176.911 176.117 -0.043 0.000 1.019 222 I CA -0.001 61.219 61.300 -0.134 0.000 1.351 222 I CB 1.479 39.272 38.000 -0.347 0.000 1.412 222 I HN 0.388 nan 8.210 nan 0.000 0.513 223 S N 5.916 121.581 115.700 -0.058 0.000 2.464 223 S HA 0.395 4.866 4.470 0.001 0.000 0.313 223 S C -0.328 174.244 174.600 -0.046 0.000 1.078 223 S CA -0.505 57.686 58.200 -0.015 0.000 1.096 223 S CB -0.212 62.979 63.200 -0.015 0.000 1.032 223 S HN 0.343 nan 8.310 nan 0.000 0.498 224 V N 8.685 128.530 119.914 -0.115 0.000 2.406 224 V HA 0.412 4.533 4.120 0.001 0.000 0.272 224 V C -1.842 174.271 176.094 0.031 0.000 1.043 224 V CA -1.875 60.365 62.300 -0.101 0.000 0.915 224 V CB 1.024 32.654 31.823 -0.321 0.000 0.988 224 V HN 0.661 nan 8.190 nan 0.000 0.466 225 P HA 0.208 nan 4.420 nan 0.000 0.278 225 P C -0.095 177.302 177.300 0.161 0.000 1.238 225 P CA -0.071 63.084 63.100 0.092 0.000 0.794 225 P CB 0.630 32.365 31.700 0.059 0.000 0.955 226 E N -0.825 119.462 120.200 0.145 0.000 2.513 226 E HA -0.242 4.109 4.350 0.001 0.000 0.257 226 E C -0.756 175.964 176.600 0.200 0.000 1.098 226 E CA 0.100 56.585 56.400 0.142 0.000 0.752 226 E CB -1.992 27.784 29.700 0.128 0.000 1.324 226 E HN 0.376 nan 8.360 nan 0.000 0.403 227 F N 0.792 120.764 119.950 0.037 0.000 2.567 227 F HA 0.371 4.898 4.527 0.001 0.000 0.352 227 F C 1.466 177.260 175.800 -0.009 0.000 1.229 227 F CA -0.091 57.922 58.000 0.022 0.000 1.228 227 F CB 0.210 39.240 39.000 0.050 0.000 1.568 227 F HN 0.065 nan 8.300 nan 0.000 0.634 228 G N 2.608 111.280 108.800 -0.214 0.000 2.559 228 G HA2 -0.151 3.809 3.960 0.001 0.000 0.216 228 G HA3 -0.151 3.809 3.960 0.001 0.000 0.216 228 G C 1.566 176.259 174.900 -0.345 0.000 1.126 228 G CA 0.637 45.612 45.100 -0.208 0.000 0.778 228 G HN 0.691 nan 8.290 nan 0.000 0.543 229 A N -0.497 121.851 122.820 -0.787 0.000 2.119 229 A HA 0.422 4.742 4.320 0.001 0.000 0.217 229 A C 2.287 179.666 177.584 -0.342 0.000 1.153 229 A CA 1.477 53.069 52.037 -0.742 0.000 0.692 229 A CB -0.385 17.787 19.000 -1.380 0.000 0.799 229 A HN 1.510 nan 8.150 nan 0.000 0.458 230 G N -1.519 107.184 108.800 -0.162 0.000 3.757 230 G HA2 0.221 4.181 3.960 0.001 0.000 0.215 230 G HA3 0.221 4.181 3.960 0.001 0.000 0.215 230 G C 0.419 175.645 174.900 0.542 0.000 1.411 230 G CA 0.566 45.824 45.100 0.263 0.000 0.896 230 G HN 2.184 nan 8.290 nan 0.000 0.581 231 A N -1.424 121.659 122.820 0.439 0.000 2.583 231 A HA 0.806 5.127 4.320 0.001 0.000 0.298 231 A C -1.159 176.591 177.584 0.278 0.000 1.055 231 A CA 0.717 52.955 52.037 0.335 0.000 0.714 231 A CB 1.410 20.450 19.000 0.068 0.000 1.277 231 A HN 1.841 nan 8.150 nan 0.000 0.406 232 M N 2.243 121.939 119.600 0.160 0.000 2.259 232 M HA 0.428 4.908 4.480 0.001 0.000 0.304 232 M C 0.486 176.777 176.300 -0.015 0.000 1.019 232 M CA -0.477 54.941 55.300 0.197 0.000 0.922 232 M CB 1.764 34.641 32.600 0.462 0.000 1.600 232 M HN 0.733 nan 8.290 nan 0.000 0.433 233 E N 2.359 122.591 120.200 0.052 0.000 2.322 233 E HA 0.022 4.373 4.350 0.001 0.000 0.195 233 E C -1.004 175.596 176.600 0.001 0.000 1.198 233 E CA -0.011 56.419 56.400 0.049 0.000 1.132 233 E CB -1.084 28.719 29.700 0.171 0.000 1.213 233 E HN 0.816 nan 8.360 nan 0.000 0.450 234 N N 1.288 119.959 118.700 -0.049 0.000 2.357 234 N HA -0.128 4.613 4.740 0.001 0.000 0.257 234 N C -0.749 174.804 175.510 0.071 0.000 1.250 234 N CA -0.069 52.952 53.050 -0.048 0.000 0.862 234 N CB 0.176 38.615 38.487 -0.081 0.000 1.066 234 N HN 0.290 nan 8.380 nan 0.000 0.468 235 W N 2.654 123.878 121.300 -0.126 0.000 2.607 235 W HA 0.191 4.851 4.660 0.000 0.000 0.336 235 W C 1.336 177.831 176.519 -0.040 0.000 1.439 235 W CA 0.773 58.070 57.345 -0.081 0.000 1.346 235 W CB -0.886 28.507 29.460 -0.112 0.000 1.425 235 W HN 0.820 nan 8.180 nan 0.000 0.565 236 G N 3.237 112.142 108.800 0.176 0.000 2.253 236 G HA2 -0.127 3.833 3.960 0.001 0.000 0.251 236 G HA3 -0.127 3.833 3.960 0.001 0.000 0.251 236 G C 0.151 175.094 174.900 0.071 0.000 0.998 236 G CA 0.095 45.255 45.100 0.100 0.000 0.621 236 G HN 1.494 nan 8.290 nan 0.000 0.524 237 A N 0.344 123.143 122.820 -0.035 0.000 2.943 237 A HA 0.733 5.053 4.320 0.001 0.000 0.327 237 A C 0.022 177.372 177.584 -0.389 0.000 1.141 237 A CA -0.445 51.447 52.037 -0.242 0.000 0.773 237 A CB 0.291 19.022 19.000 -0.449 0.000 1.143 237 A HN 0.620 nan 8.150 nan 0.000 0.463 238 I N 2.488 122.917 120.570 -0.235 0.000 2.496 238 I HA 0.222 4.392 4.170 0.001 0.000 0.285 238 I C 0.699 176.494 176.117 -0.536 0.000 1.080 238 I CA 0.130 61.225 61.300 -0.342 0.000 1.404 238 I CB 1.455 39.311 38.000 -0.240 0.000 1.403 238 I HN 0.602 nan 8.210 nan 0.000 0.539 239 T N 3.389 117.560 114.554 -0.638 0.000 2.795 239 T HA 0.651 5.001 4.350 0.001 0.000 0.282 239 T C -0.551 173.684 174.700 -0.776 0.000 0.980 239 T CA -0.577 61.104 62.100 -0.699 0.000 1.012 239 T CB 0.885 69.287 68.868 -0.776 0.000 0.936 239 T HN 0.192 nan 8.240 nan 0.000 0.457 240 F N 0.288 120.064 119.950 -0.290 0.000 2.618 240 F HA 0.625 5.152 4.527 0.001 0.000 0.332 240 F C 0.821 176.638 175.800 0.029 0.000 1.061 240 F CA -1.606 56.401 58.000 0.011 0.000 0.974 240 F CB 1.730 40.796 39.000 0.110 0.000 1.310 240 F HN 0.415 nan 8.300 nan 0.000 0.491 241 R N 0.865 121.679 120.500 0.523 0.000 2.390 241 R HA 0.132 4.472 4.340 0.001 0.000 0.291 241 R C 0.988 177.352 176.300 0.105 0.000 1.070 241 R CA -0.030 56.230 56.100 0.267 0.000 1.014 241 R CB 0.742 31.088 30.300 0.077 0.000 1.007 241 R HN 0.774 nan 8.270 nan 0.000 0.466 242 E N 2.753 122.981 120.200 0.046 0.000 2.147 242 E HA -0.315 4.035 4.350 0.001 0.000 0.199 242 E C 1.604 178.173 176.600 -0.051 0.000 1.005 242 E CA 1.521 57.922 56.400 0.003 0.000 0.810 242 E CB -0.181 29.517 29.700 -0.003 0.000 0.736 242 E HN 0.655 nan 8.360 nan 0.000 0.460 243 I N 0.185 120.670 120.570 -0.143 0.000 2.361 243 I HA -0.300 3.871 4.170 0.001 0.000 0.251 243 I C 1.500 177.519 176.117 -0.164 0.000 1.133 243 I CA 1.320 62.499 61.300 -0.202 0.000 1.413 243 I CB 0.036 37.846 38.000 -0.317 0.000 1.073 243 I HN 0.165 nan 8.210 nan 0.000 0.424 244 Y N -1.004 119.294 120.300 -0.002 0.000 2.457 244 Y HA -0.076 4.474 4.550 0.001 0.000 0.292 244 Y C 2.285 178.077 175.900 -0.180 0.000 1.125 244 Y CA 0.118 58.173 58.100 -0.073 0.000 1.254 244 Y CB 0.074 38.520 38.460 -0.024 0.000 1.012 244 Y HN 0.147 nan 8.280 nan 0.000 0.555 245 M N -1.055 118.532 119.600 -0.021 0.000 2.534 245 M HA 0.040 4.520 4.480 0.001 0.000 0.263 245 M C -0.304 175.961 176.300 -0.058 0.000 1.152 245 M CA 0.818 56.061 55.300 -0.096 0.000 1.145 245 M CB -0.211 32.339 32.600 -0.083 0.000 1.333 245 M HN -0.066 nan 8.290 nan 0.000 0.477 246 D N 2.605 122.978 120.400 -0.045 0.000 2.522 246 D HA 0.411 5.052 4.640 0.001 0.000 0.218 246 D C -0.448 175.820 176.300 -0.054 0.000 1.149 246 D CA 0.139 54.111 54.000 -0.047 0.000 0.981 246 D CB 0.010 40.783 40.800 -0.046 0.000 1.041 246 D HN 0.300 nan 8.370 nan 0.000 0.518 247 I N -1.718 118.819 120.570 -0.054 0.000 2.894 247 I HA 0.879 5.049 4.170 0.001 0.000 0.302 247 I C -1.144 174.902 176.117 -0.118 0.000 1.188 247 I CA -1.273 59.970 61.300 -0.094 0.000 1.014 247 I CB 2.268 40.207 38.000 -0.102 0.000 1.242 247 I HN 0.064 nan 8.210 nan 0.000 0.430 248 A N 3.063 125.770 122.820 -0.188 0.000 2.469 248 A HA 0.544 4.864 4.320 0.001 0.000 0.299 248 A C 0.414 177.794 177.584 -0.340 0.000 1.098 248 A CA -0.416 51.505 52.037 -0.194 0.000 0.737 248 A CB 1.516 20.447 19.000 -0.115 0.000 1.312 248 A HN 0.962 nan 8.150 nan 0.000 0.414 249 E N 0.440 120.447 120.200 -0.320 0.000 2.463 249 E HA -0.144 4.207 4.350 0.001 0.000 0.201 249 E C 0.126 176.599 176.600 -0.213 0.000 1.045 249 E CA 1.386 57.581 56.400 -0.342 0.000 0.872 249 E CB -0.149 29.458 29.700 -0.155 0.000 0.797 249 E HN 0.542 nan 8.360 nan 0.000 0.538 250 N N 1.058 119.658 118.700 -0.167 0.000 2.336 250 N HA -0.012 4.729 4.740 0.001 0.000 0.189 250 N C 0.036 175.472 175.510 -0.123 0.000 1.113 250 N CA 0.596 53.575 53.050 -0.118 0.000 0.858 250 N CB 0.572 39.007 38.487 -0.087 0.000 0.970 250 N HN 0.259 nan 8.380 nan 0.000 0.471 251 S N 0.038 115.640 115.700 -0.164 0.000 2.646 251 S HA 0.629 5.099 4.470 0.001 0.000 0.276 251 S C 0.404 174.919 174.600 -0.141 0.000 1.222 251 S CA -0.928 57.186 58.200 -0.143 0.000 1.014 251 S CB 1.970 65.075 63.200 -0.157 0.000 0.991 251 S HN 0.212 nan 8.310 nan 0.000 0.533 252 A N 1.655 124.414 122.820 -0.103 0.000 2.608 252 A HA 0.161 4.481 4.320 0.001 0.000 0.239 252 A C 1.371 178.891 177.584 -0.107 0.000 1.018 252 A CA -0.176 51.813 52.037 -0.079 0.000 0.766 252 A CB -0.561 18.410 19.000 -0.049 0.000 0.928 252 A HN 1.169 nan 8.150 nan 0.000 0.512 253 V N 3.345 123.212 119.914 -0.078 0.000 2.453 253 V HA -0.255 3.865 4.120 0.001 0.000 0.252 253 V C 2.571 178.552 176.094 -0.187 0.000 1.068 253 V CA 2.702 64.933 62.300 -0.114 0.000 1.070 253 V CB -1.333 30.512 31.823 0.036 0.000 0.664 253 V HN 1.007 nan 8.190 nan 0.000 0.461 254 T N -0.011 114.524 114.554 -0.030 0.000 2.708 254 T HA -0.143 4.208 4.350 0.001 0.000 0.266 254 T C 1.927 176.571 174.700 -0.094 0.000 1.037 254 T CA 1.650 63.751 62.100 0.002 0.000 1.146 254 T CB -0.219 68.711 68.868 0.103 0.000 0.865 254 T HN 0.333 nan 8.240 nan 0.000 0.435 255 V N 1.349 121.212 119.914 -0.084 0.000 2.626 255 V HA -0.131 3.990 4.120 0.001 0.000 0.252 255 V C 2.348 178.364 176.094 -0.130 0.000 1.067 255 V CA 1.426 63.680 62.300 -0.076 0.000 1.081 255 V CB -0.490 31.290 31.823 -0.072 0.000 0.686 255 V HN 0.467 nan 8.190 nan 0.000 0.468 256 K N -0.389 119.873 120.400 -0.231 0.000 2.021 256 K HA -0.020 4.300 4.320 0.001 0.000 0.205 256 K C 2.426 178.857 176.600 -0.282 0.000 1.047 256 K CA 0.680 56.799 56.287 -0.279 0.000 0.943 256 K CB -0.203 32.042 32.500 -0.426 0.000 0.725 256 K HN 0.195 nan 8.250 nan 0.000 0.439 257 R N 1.210 121.415 120.500 -0.491 0.000 2.159 257 R HA -0.080 4.261 4.340 0.001 0.000 0.237 257 R C 1.611 177.762 176.300 -0.248 0.000 1.131 257 R CA 1.221 56.968 56.100 -0.588 0.000 0.982 257 R CB -0.794 28.630 30.300 -1.459 0.000 0.868 257 R HN 0.411 nan 8.270 nan 0.000 0.453 258 N N -0.274 118.327 118.700 -0.164 0.000 2.207 258 N HA -0.100 4.640 4.740 0.001 0.000 0.182 258 N C 1.710 177.167 175.510 -0.087 0.000 1.020 258 N CA 0.979 54.000 53.050 -0.047 0.000 0.858 258 N CB 0.023 38.538 38.487 0.047 0.000 0.991 258 N HN 0.074 nan 8.380 nan 0.000 0.427 259 S N 0.893 116.560 115.700 -0.054 0.000 2.368 259 S HA -0.054 4.416 4.470 0.001 0.000 0.224 259 S C 2.070 176.564 174.600 -0.177 0.000 1.029 259 S CA 1.141 59.304 58.200 -0.062 0.000 0.988 259 S CB -0.242 62.980 63.200 0.036 0.000 0.838 259 S HN 0.360 nan 8.310 nan 0.000 0.462 260 A N 1.522 124.238 122.820 -0.173 0.000 1.908 260 A HA -0.193 4.128 4.320 0.001 0.000 0.218 260 A C 2.061 179.459 177.584 -0.310 0.000 1.181 260 A CA 1.979 53.874 52.037 -0.237 0.000 0.627 260 A CB -1.316 17.515 19.000 -0.282 0.000 0.818 260 A HN 0.802 nan 8.150 nan 0.000 0.445 261 N N -0.529 117.956 118.700 -0.358 0.000 2.120 261 N HA -0.131 4.609 4.740 0.001 0.000 0.188 261 N C 1.625 176.961 175.510 -0.289 0.000 1.024 261 N CA 1.372 54.155 53.050 -0.446 0.000 0.852 261 N CB -0.090 38.120 38.487 -0.462 0.000 1.003 261 N HN 0.250 nan 8.380 nan 0.000 0.424 262 V N 1.586 121.337 119.914 -0.271 0.000 2.295 262 V HA -0.228 3.893 4.120 0.001 0.000 0.246 262 V C 2.203 178.298 176.094 0.001 0.000 1.049 262 V CA 1.399 63.557 62.300 -0.236 0.000 1.024 262 V CB -0.449 31.020 31.823 -0.591 0.000 0.648 262 V HN 0.337 nan 8.190 nan 0.000 0.447 263 I N 0.646 121.179 120.570 -0.062 0.000 2.163 263 I HA -0.281 3.889 4.170 0.001 0.000 0.243 263 I C 2.715 178.889 176.117 0.096 0.000 1.085 263 I CA 1.701 63.024 61.300 0.039 0.000 1.347 263 I CB -0.688 37.211 38.000 -0.169 0.000 1.044 263 I HN 0.305 nan 8.210 nan 0.000 0.408 264 A N 0.045 122.849 122.820 -0.026 0.000 1.933 264 A HA -0.309 4.011 4.320 0.001 0.000 0.218 264 A C 2.169 179.816 177.584 0.105 0.000 1.175 264 A CA 2.170 54.218 52.037 0.020 0.000 0.628 264 A CB -1.116 17.756 19.000 -0.213 0.000 0.814 264 A HN 0.589 nan 8.150 nan 0.000 0.444 265 H N -0.740 118.287 119.070 -0.072 0.000 2.267 265 H HA -0.158 4.399 4.556 0.001 0.000 0.297 265 H C 2.078 177.364 175.328 -0.071 0.000 1.080 265 H CA 2.099 58.092 56.048 -0.091 0.000 1.278 265 H CB -0.014 29.693 29.762 -0.092 0.000 1.365 265 H HN 0.373 nan 8.280 nan 0.000 0.489 266 E N 0.432 120.811 120.200 0.298 0.000 2.085 266 E HA -0.127 4.224 4.350 0.001 0.000 0.194 266 E C 2.319 179.048 176.600 0.214 0.000 0.994 266 E CA 1.298 57.876 56.400 0.297 0.000 0.801 266 E CB -0.230 29.605 29.700 0.224 0.000 0.743 266 E HN 0.624 nan 8.360 nan 0.000 0.453 267 I N -0.012 120.684 120.570 0.210 0.000 2.394 267 I HA -0.229 3.942 4.170 0.001 0.000 0.251 267 I C 2.145 178.363 176.117 0.167 0.000 1.136 267 I CA 0.815 62.266 61.300 0.253 0.000 1.425 267 I CB -0.240 37.954 38.000 0.325 0.000 1.079 267 I HN 0.060 nan 8.210 nan 0.000 0.425 268 A N 0.250 122.978 122.820 -0.154 0.000 1.940 268 A HA -0.249 4.072 4.320 0.001 0.000 0.219 268 A C 2.109 179.744 177.584 0.085 0.000 1.176 268 A CA 1.549 53.362 52.037 -0.374 0.000 0.631 268 A CB -0.827 17.957 19.000 -0.360 0.000 0.814 268 A HN 0.410 nan 8.150 nan 0.000 0.446 269 H N 0.018 119.173 119.070 0.141 0.000 2.456 269 H HA -0.073 4.484 4.556 0.001 0.000 0.296 269 H C 1.678 177.083 175.328 0.128 0.000 1.079 269 H CA 1.429 57.565 56.048 0.146 0.000 1.322 269 H CB -0.127 29.693 29.762 0.097 0.000 1.388 269 H HN 0.509 nan 8.280 nan 0.000 0.538 270 Q N -0.992 119.015 119.800 0.346 0.000 2.515 270 Q HA -0.162 4.179 4.340 0.001 0.000 0.215 270 Q C 1.451 177.461 176.000 0.016 0.000 0.983 270 Q CA 0.741 56.696 55.803 0.252 0.000 0.905 270 Q CB 0.031 28.929 28.738 0.265 0.000 0.961 270 Q HN 0.674 nan 8.270 nan 0.000 0.503 271 W N -1.976 119.338 121.300 0.023 0.000 4.271 271 W HA 0.192 4.853 4.660 0.001 0.000 0.208 271 W C 0.071 176.457 176.519 -0.222 0.000 0.940 271 W CA -0.567 56.686 57.345 -0.153 0.000 2.040 271 W CB -0.065 29.160 29.460 -0.391 0.000 0.875 271 W HN -0.088 nan 8.180 nan 0.000 0.877 272 F N 1.630 121.592 119.950 0.019 0.000 2.368 272 F HA 0.495 5.023 4.527 0.001 0.000 0.362 272 F C 0.788 176.621 175.800 0.055 0.000 1.137 272 F CA 1.590 59.557 58.000 -0.056 0.000 1.161 272 F CB 0.220 39.177 39.000 -0.071 0.000 1.265 272 F HN 0.211 nan 8.300 nan 0.000 0.530 273 G N 3.757 112.413 108.800 -0.241 0.000 3.330 273 G HA2 -0.258 3.703 3.960 0.001 0.000 0.197 273 G HA3 -0.258 3.703 3.960 0.001 0.000 0.197 273 G C 0.690 175.377 174.900 -0.355 0.000 1.284 273 G CA 0.202 45.193 45.100 -0.182 0.000 0.921 273 G HN 0.464 nan 8.290 nan 0.000 0.466 274 D N 0.469 120.581 120.400 -0.480 0.000 2.269 274 D HA 0.245 4.885 4.640 0.001 0.000 0.220 274 D C 2.472 177.992 176.300 -1.300 0.000 0.962 274 D CA 0.721 54.131 54.000 -0.984 0.000 0.884 274 D CB -0.117 39.892 40.800 -1.319 0.000 1.023 274 D HN 0.308 nan 8.370 nan 0.000 0.484 275 L N 0.477 121.132 121.223 -0.947 0.000 2.005 275 L HA -0.006 4.335 4.340 0.001 0.000 0.207 275 L C 0.073 176.583 176.870 -0.601 0.000 1.072 275 L CA 0.985 55.374 54.840 -0.751 0.000 0.744 275 L CB 0.311 42.112 42.059 -0.429 0.000 0.895 275 L HN -0.162 nan 8.230 nan 0.000 0.433 276 V N 0.169 119.784 119.914 -0.498 0.000 2.378 276 V HA 0.281 4.401 4.120 0.001 0.000 0.288 276 V C -0.414 175.385 176.094 -0.492 0.000 1.016 276 V CA -0.550 61.471 62.300 -0.464 0.000 0.840 276 V CB 1.490 33.020 31.823 -0.488 0.000 0.994 276 V HN 0.179 nan 8.190 nan 0.000 0.431 277 T N 6.140 120.451 114.554 -0.405 0.000 2.855 277 T HA 0.548 4.899 4.350 0.001 0.000 0.281 277 T C 0.152 174.653 174.700 -0.331 0.000 1.007 277 T CA -0.583 61.308 62.100 -0.348 0.000 1.009 277 T CB 1.503 70.225 68.868 -0.243 0.000 0.983 277 T HN 0.747 nan 8.240 nan 0.000 0.455 278 M N 1.586 120.978 119.600 -0.346 0.000 2.228 278 M HA 0.284 4.765 4.480 0.001 0.000 0.303 278 M C 0.683 176.834 176.300 -0.249 0.000 1.099 278 M CA 0.173 55.282 55.300 -0.319 0.000 1.171 278 M CB 0.682 33.066 32.600 -0.360 0.000 1.412 278 M HN 0.470 nan 8.290 nan 0.000 0.447 279 K N 0.400 120.712 120.400 -0.146 0.000 2.137 279 K HA 0.134 4.455 4.320 0.001 0.000 0.202 279 K C 0.060 176.746 176.600 0.143 0.000 1.052 279 K CA 0.985 57.272 56.287 -0.001 0.000 0.961 279 K CB 0.329 32.846 32.500 0.028 0.000 0.741 279 K HN 0.735 nan 8.250 nan 0.000 0.452 280 W N -1.125 120.034 121.300 -0.235 0.000 3.118 280 W HA 0.063 4.723 4.660 0.000 0.000 0.328 280 W C -1.309 175.023 176.519 -0.312 0.000 1.239 280 W CA -1.002 56.177 57.345 -0.278 0.000 1.176 280 W CB 0.821 30.265 29.460 -0.027 0.000 1.433 280 W HN -0.020 nan 8.180 nan 0.000 0.562 281 W N 2.235 122.840 121.300 -1.158 0.000 2.982 281 W HA -0.131 4.530 4.660 0.000 0.000 0.239 281 W C 1.899 178.217 176.519 -0.335 0.000 1.303 281 W CA 0.843 57.720 57.345 -0.780 0.000 1.448 281 W CB -0.459 28.415 29.460 -0.978 0.000 1.133 281 W HN 0.331 nan 8.180 nan 0.000 0.698 282 N N -0.851 117.868 118.700 0.032 0.000 2.415 282 N HA -0.112 4.628 4.740 0.001 0.000 0.176 282 N C 0.934 176.630 175.510 0.310 0.000 1.042 282 N CA 1.108 54.308 53.050 0.251 0.000 0.902 282 N CB -0.409 38.295 38.487 0.362 0.000 0.986 282 N HN -0.055 nan 8.380 nan 0.000 0.447 283 D N 0.126 120.610 120.400 0.139 0.000 2.319 283 D HA 0.008 4.649 4.640 0.001 0.000 0.230 283 D C 1.441 177.640 176.300 -0.168 0.000 1.094 283 D CA -0.098 53.888 54.000 -0.023 0.000 0.856 283 D CB 0.145 40.891 40.800 -0.089 0.000 0.915 283 D HN 0.202 nan 8.370 nan 0.000 0.517 284 L N 1.300 122.542 121.223 0.032 0.000 2.127 284 L HA -0.124 4.216 4.340 0.001 0.000 0.211 284 L C 2.098 179.077 176.870 0.181 0.000 1.089 284 L CA 1.385 56.294 54.840 0.114 0.000 0.757 284 L CB -0.850 41.378 42.059 0.281 0.000 0.899 284 L HN 0.343 nan 8.230 nan 0.000 0.434 285 W N -0.184 121.256 121.300 0.235 0.000 2.342 285 W HA -0.232 4.429 4.660 0.001 0.000 0.297 285 W C 2.037 178.765 176.519 0.349 0.000 1.213 285 W CA 0.470 57.984 57.345 0.282 0.000 1.251 285 W CB -1.401 28.118 29.460 0.098 0.000 1.136 285 W HN 0.140 nan 8.180 nan 0.000 0.526 286 L N 1.494 122.088 121.223 -1.048 0.000 2.093 286 L HA -0.229 4.111 4.340 0.001 0.000 0.208 286 L C 2.621 179.454 176.870 -0.063 0.000 1.085 286 L CA 1.991 56.286 54.840 -0.907 0.000 0.755 286 L CB -0.816 40.603 42.059 -1.067 0.000 0.904 286 L HN 0.138 nan 8.230 nan 0.000 0.435 287 N N -0.722 118.035 118.700 0.095 0.000 2.069 287 N HA -0.264 4.476 4.740 0.001 0.000 0.191 287 N C 1.681 177.462 175.510 0.453 0.000 1.031 287 N CA 1.391 54.666 53.050 0.374 0.000 0.852 287 N CB 0.179 38.792 38.487 0.210 0.000 1.018 287 N HN 0.232 nan 8.380 nan 0.000 0.423 288 E N 0.280 120.687 120.200 0.344 0.000 2.072 288 E HA 0.015 4.366 4.350 0.001 0.000 0.190 288 E C 2.076 178.874 176.600 0.329 0.000 0.982 288 E CA 0.684 57.275 56.400 0.317 0.000 0.803 288 E CB -0.184 29.488 29.700 -0.047 0.000 0.755 288 E HN 0.185 nan 8.360 nan 0.000 0.453 289 S N 0.126 116.067 115.700 0.401 0.000 2.359 289 S HA -0.151 4.320 4.470 0.001 0.000 0.224 289 S C 1.715 176.493 174.600 0.297 0.000 1.035 289 S CA 1.047 59.500 58.200 0.422 0.000 1.018 289 S CB -0.437 63.081 63.200 0.530 0.000 0.876 289 S HN 0.299 nan 8.310 nan 0.000 0.448 290 F N 2.283 122.244 119.950 0.018 0.000 2.134 290 F HA -0.091 4.437 4.527 0.001 0.000 0.299 290 F C 2.348 178.084 175.800 -0.107 0.000 1.097 290 F CA 0.961 58.860 58.000 -0.169 0.000 1.264 290 F CB -0.650 37.827 39.000 -0.872 0.000 1.001 290 F HN 0.176 nan 8.300 nan 0.000 0.479 291 A N -0.883 121.858 122.820 -0.131 0.000 1.902 291 A HA -0.162 4.158 4.320 0.001 0.000 0.217 291 A C 2.190 179.545 177.584 -0.381 0.000 1.181 291 A CA 2.207 53.917 52.037 -0.545 0.000 0.623 291 A CB -1.361 16.806 19.000 -1.389 0.000 0.818 291 A HN 0.401 nan 8.150 nan 0.000 0.443 292 T N -0.925 113.627 114.554 -0.005 0.000 2.821 292 T HA -0.103 4.247 4.350 0.001 0.000 0.267 292 T C 1.598 176.433 174.700 0.225 0.000 1.046 292 T CA 1.505 63.799 62.100 0.323 0.000 1.139 292 T CB -0.369 68.810 68.868 0.517 0.000 0.871 292 T HN 0.521 nan 8.240 nan 0.000 0.454 293 F N 1.427 121.368 119.950 -0.014 0.000 2.146 293 F HA -0.043 4.484 4.527 0.001 0.000 0.298 293 F C 2.094 177.791 175.800 -0.171 0.000 1.096 293 F CA 1.091 59.025 58.000 -0.111 0.000 1.275 293 F CB -0.236 38.692 39.000 -0.120 0.000 1.008 293 F HN -0.025 nan 8.300 nan 0.000 0.480 294 M N 0.413 119.802 119.600 -0.351 0.000 2.229 294 M HA -0.116 4.364 4.480 0.001 0.000 0.264 294 M C 2.607 178.692 176.300 -0.359 0.000 1.063 294 M CA 1.572 56.641 55.300 -0.386 0.000 1.114 294 M CB -1.616 30.873 32.600 -0.185 0.000 1.387 294 M HN 0.425 nan 8.290 nan 0.000 0.420 295 S N -0.337 115.176 115.700 -0.311 0.000 2.368 295 S HA -0.147 4.324 4.470 0.001 0.000 0.224 295 S C 2.009 176.181 174.600 -0.713 0.000 1.029 295 S CA 0.893 58.852 58.200 -0.401 0.000 0.988 295 S CB -0.764 62.257 63.200 -0.298 0.000 0.838 295 S HN 0.437 nan 8.310 nan 0.000 0.462 296 Y N 2.122 121.977 120.300 -0.740 0.000 2.200 296 Y HA 0.083 4.633 4.550 0.001 0.000 0.290 296 Y C 2.675 177.838 175.900 -1.229 0.000 1.137 296 Y CA 1.570 59.014 58.100 -1.092 0.000 1.163 296 Y CB -0.234 37.361 38.460 -1.441 0.000 0.988 296 Y HN 0.282 nan 8.280 nan 0.000 0.518 297 K N -0.470 119.414 120.400 -0.859 0.000 2.280 297 K HA -0.150 4.170 4.320 0.001 0.000 0.202 297 K C 1.595 177.714 176.600 -0.801 0.000 1.047 297 K CA 1.737 57.714 56.287 -0.517 0.000 0.942 297 K CB -0.110 32.089 32.500 -0.502 0.000 0.739 297 K HN 0.202 nan 8.250 nan 0.000 0.457 298 T N 0.797 114.728 114.554 -1.039 0.000 2.852 298 T HA 0.008 4.359 4.350 0.001 0.000 0.256 298 T C 1.649 175.719 174.700 -1.050 0.000 1.038 298 T CA 0.651 61.848 62.100 -1.505 0.000 1.141 298 T CB 0.037 68.116 68.868 -1.315 0.000 0.869 298 T HN 0.122 nan 8.240 nan 0.000 0.439 299 M N 1.533 120.580 119.600 -0.923 0.000 2.296 299 M HA -0.020 4.461 4.480 0.001 0.000 0.265 299 M C 1.923 177.915 176.300 -0.514 0.000 1.064 299 M CA 1.203 55.976 55.300 -0.878 0.000 1.109 299 M CB -0.998 30.552 32.600 -1.750 0.000 1.396 299 M HN 0.266 nan 8.290 nan 0.000 0.430 300 D N -0.609 119.510 120.400 -0.468 0.000 2.162 300 D HA -0.097 4.544 4.640 0.001 0.000 0.203 300 D C 1.625 177.872 176.300 -0.090 0.000 0.967 300 D CA 1.414 55.366 54.000 -0.079 0.000 0.840 300 D CB 0.275 40.981 40.800 -0.157 0.000 0.972 300 D HN 0.188 nan 8.370 nan 0.000 0.482 301 T N 0.028 114.417 114.554 -0.276 0.000 2.821 301 T HA -0.050 4.300 4.350 0.001 0.000 0.267 301 T C 1.900 176.449 174.700 -0.252 0.000 1.046 301 T CA 0.853 62.818 62.100 -0.225 0.000 1.139 301 T CB -0.154 68.535 68.868 -0.299 0.000 0.871 301 T HN 0.163 nan 8.240 nan 0.000 0.454 302 L N -0.903 120.087 121.223 -0.388 0.000 2.131 302 L HA 0.155 4.496 4.340 0.001 0.000 0.206 302 L C 0.289 176.685 176.870 -0.790 0.000 1.087 302 L CA 0.944 55.423 54.840 -0.603 0.000 0.767 302 L CB -0.068 41.553 42.059 -0.730 0.000 0.917 302 L HN 0.208 nan 8.230 nan 0.000 0.441 303 F N -0.312 119.618 119.950 -0.032 0.000 2.523 303 F HA 0.304 4.831 4.527 0.001 0.000 0.322 303 F C -1.518 174.404 175.800 0.203 0.000 1.361 303 F CA -2.000 56.071 58.000 0.118 0.000 1.151 303 F CB 0.084 39.218 39.000 0.223 0.000 1.391 303 F HN -0.175 nan 8.300 nan 0.000 0.566 304 P HA -0.223 nan 4.420 nan 0.000 0.216 304 P C 1.231 178.661 177.300 0.216 0.000 1.153 304 P CA 1.647 64.860 63.100 0.189 0.000 0.858 304 P CB 0.479 32.237 31.700 0.097 0.000 0.789 305 E N -1.190 119.132 120.200 0.204 0.000 2.267 305 E HA -0.176 4.174 4.350 0.001 0.000 0.197 305 E C 1.791 178.494 176.600 0.173 0.000 0.998 305 E CA 0.659 57.158 56.400 0.165 0.000 0.830 305 E CB -0.781 29.008 29.700 0.148 0.000 0.751 305 E HN 0.532 nan 8.360 nan 0.000 0.491 306 W N 1.208 122.549 121.300 0.068 0.000 2.584 306 W HA -0.059 4.602 4.660 0.001 0.000 0.264 306 W C 0.474 176.929 176.519 -0.108 0.000 1.264 306 W CA 1.526 58.818 57.345 -0.089 0.000 1.306 306 W CB 0.262 29.578 29.460 -0.239 0.000 1.110 306 W HN -0.006 nan 8.180 nan 0.000 0.606 307 S N 0.405 116.169 115.700 0.106 0.000 3.797 307 S HA -0.281 4.190 4.470 0.001 0.000 0.374 307 S C 0.471 175.144 174.600 0.122 0.000 0.970 307 S CA 0.618 58.873 58.200 0.092 0.000 1.177 307 S CB -2.156 61.051 63.200 0.012 0.000 0.891 307 S HN 0.283 nan 8.310 nan 0.000 0.491 308 F N -0.181 119.923 119.950 0.256 0.000 2.216 308 F HA 0.001 4.529 4.527 0.001 0.000 0.300 308 F C 1.875 177.728 175.800 0.087 0.000 1.085 308 F CA 1.972 60.122 58.000 0.250 0.000 1.326 308 F CB -0.244 38.788 39.000 0.054 0.000 1.027 308 F HN 0.599 nan 8.300 nan 0.000 0.497 309 W N -0.317 121.184 121.300 0.335 0.000 2.402 309 W HA -0.030 4.631 4.660 0.001 0.000 0.286 309 W C 2.580 179.215 176.519 0.193 0.000 1.221 309 W CA 0.971 58.432 57.345 0.193 0.000 1.257 309 W CB -1.015 28.498 29.460 0.088 0.000 1.120 309 W HN -0.050 nan 8.180 nan 0.000 0.551 310 G N -0.275 108.713 108.800 0.313 0.000 2.422 310 G HA2 -0.316 3.644 3.960 0.001 0.000 0.218 310 G HA3 -0.316 3.644 3.960 0.001 0.000 0.218 310 G C 1.291 176.293 174.900 0.170 0.000 1.146 310 G CA 1.397 46.592 45.100 0.159 0.000 0.769 310 G HN 0.238 nan 8.290 nan 0.000 0.547 311 D N -0.047 120.462 120.400 0.181 0.000 2.097 311 D HA -0.151 4.489 4.640 0.001 0.000 0.195 311 D C 2.116 178.530 176.300 0.190 0.000 0.989 311 D CA 0.725 54.848 54.000 0.205 0.000 0.827 311 D CB -0.185 40.816 40.800 0.336 0.000 0.966 311 D HN 0.239 nan 8.370 nan 0.000 0.456 312 F N 0.782 120.671 119.950 -0.103 0.000 2.095 312 F HA -0.210 4.318 4.527 0.001 0.000 0.298 312 F C 2.099 177.852 175.800 -0.080 0.000 1.104 312 F CA 1.392 59.122 58.000 -0.449 0.000 1.232 312 F CB -0.841 37.708 39.000 -0.752 0.000 0.987 312 F HN -0.057 nan 8.300 nan 0.000 0.475 313 F N 0.420 120.356 119.950 -0.022 0.000 2.069 313 F HA -0.230 4.298 4.527 0.001 0.000 0.298 313 F C 2.203 177.893 175.800 -0.183 0.000 1.113 313 F CA 2.162 60.088 58.000 -0.123 0.000 1.214 313 F CB -0.861 38.129 39.000 -0.017 0.000 0.978 313 F HN -0.159 nan 8.300 nan 0.000 0.474 314 V N -0.051 119.891 119.914 0.047 0.000 2.407 314 V HA -0.269 3.852 4.120 0.001 0.000 0.248 314 V C 2.377 178.388 176.094 -0.137 0.000 1.055 314 V CA 2.079 64.353 62.300 -0.043 0.000 1.049 314 V CB -0.911 30.933 31.823 0.035 0.000 0.662 314 V HN 0.591 nan 8.190 nan 0.000 0.455 315 S N -1.502 114.124 115.700 -0.124 0.000 2.503 315 S HA 0.141 4.611 4.470 0.001 0.000 0.215 315 S C 1.767 176.257 174.600 -0.184 0.000 1.003 315 S CA -0.039 58.107 58.200 -0.090 0.000 0.910 315 S CB 0.379 63.610 63.200 0.052 0.000 0.790 315 S HN 0.434 nan 8.310 nan 0.000 0.514 316 R N 1.067 121.316 120.500 -0.419 0.000 2.207 316 R HA 0.391 4.731 4.340 0.001 0.000 0.180 316 R C 2.348 178.349 176.300 -0.498 0.000 1.445 316 R CA 1.487 57.286 56.100 -0.500 0.000 1.217 316 R CB -1.153 28.576 30.300 -0.953 0.000 1.135 316 R HN 0.297 nan 8.270 nan 0.000 0.481 317 T N 0.399 114.527 114.554 -0.711 0.000 2.597 317 T HA -0.249 4.101 4.350 0.001 0.000 0.267 317 T C 1.860 176.219 174.700 -0.568 0.000 1.053 317 T CA 2.156 63.930 62.100 -0.544 0.000 1.165 317 T CB -0.715 67.748 68.868 -0.675 0.000 0.863 317 T HN 0.246 nan 8.240 nan 0.000 0.427 318 S N 0.589 115.767 115.700 -0.871 0.000 2.380 318 S HA -0.130 4.341 4.470 0.001 0.000 0.229 318 S C 2.290 176.697 174.600 -0.322 0.000 1.043 318 S CA 1.882 59.695 58.200 -0.644 0.000 1.038 318 S CB -0.905 61.965 63.200 -0.550 0.000 0.872 318 S HN 0.647 nan 8.310 nan 0.000 0.456 319 G N -0.146 108.511 108.800 -0.239 0.000 2.464 319 G HA2 0.213 4.173 3.960 0.001 0.000 0.217 319 G HA3 0.213 4.173 3.960 0.001 0.000 0.217 319 G C 1.577 176.437 174.900 -0.067 0.000 1.138 319 G CA 0.741 45.767 45.100 -0.124 0.000 0.793 319 G HN 0.661 nan 8.290 nan 0.000 0.539 320 A N 0.672 123.454 122.820 -0.063 0.000 1.897 320 A HA 0.195 4.516 4.320 0.001 0.000 0.215 320 A C 2.349 180.033 177.584 0.168 0.000 1.181 320 A CA 0.834 52.911 52.037 0.067 0.000 0.620 320 A CB -0.379 18.662 19.000 0.067 0.000 0.821 320 A HN 0.316 nan 8.150 nan 0.000 0.443 321 L N -0.922 120.266 121.223 -0.059 0.000 2.083 321 L HA -0.180 4.160 4.340 0.001 0.000 0.209 321 L C 2.816 179.690 176.870 0.007 0.000 1.083 321 L CA 1.709 56.293 54.840 -0.428 0.000 0.752 321 L CB -0.369 41.265 42.059 -0.709 0.000 0.899 321 L HN 0.495 nan 8.230 nan 0.000 0.433 322 R N -0.562 119.934 120.500 -0.006 0.000 2.062 322 R HA -0.126 4.215 4.340 0.001 0.000 0.229 322 R C 2.424 178.780 176.300 0.094 0.000 1.128 322 R CA 1.712 57.844 56.100 0.053 0.000 0.960 322 R CB -0.104 30.185 30.300 -0.018 0.000 0.855 322 R HN 0.147 nan 8.270 nan 0.000 0.432 323 S N 0.737 116.480 115.700 0.071 0.000 2.368 323 S HA -0.132 4.339 4.470 0.001 0.000 0.225 323 S C 1.205 175.861 174.600 0.093 0.000 1.030 323 S CA 1.457 59.692 58.200 0.057 0.000 0.999 323 S CB -0.280 62.934 63.200 0.024 0.000 0.844 323 S HN 0.372 nan 8.310 nan 0.000 0.459 324 D N 0.902 121.423 120.400 0.202 0.000 2.378 324 D HA 0.008 4.649 4.640 0.001 0.000 0.227 324 D C 1.557 178.006 176.300 0.248 0.000 1.012 324 D CA 0.417 54.589 54.000 0.287 0.000 0.905 324 D CB -0.087 41.040 40.800 0.545 0.000 0.895 324 D HN 0.438 nan 8.370 nan 0.000 0.532 325 S N -1.261 114.564 115.700 0.208 0.000 2.557 325 S HA 0.188 4.659 4.470 0.001 0.000 0.223 325 S C 0.554 175.128 174.600 -0.043 0.000 0.969 325 S CA -0.538 57.682 58.200 0.034 0.000 0.927 325 S CB 0.011 63.349 63.200 0.228 0.000 0.806 325 S HN 0.050 nan 8.310 nan 0.000 0.489 326 L N 1.174 122.393 121.223 -0.006 0.000 2.334 326 L HA 0.519 4.860 4.340 0.001 0.000 0.272 326 L C 1.116 177.972 176.870 -0.022 0.000 1.020 326 L CA -0.854 53.972 54.840 -0.024 0.000 0.812 326 L CB 1.370 43.427 42.059 -0.003 0.000 1.264 326 L HN -0.030 nan 8.230 nan 0.000 0.439 327 K N 0.688 121.072 120.400 -0.027 0.000 2.362 327 K HA -0.026 4.294 4.320 0.001 0.000 0.200 327 K C 1.003 177.605 176.600 0.004 0.000 1.046 327 K CA 0.641 56.919 56.287 -0.015 0.000 0.952 327 K CB 0.070 32.558 32.500 -0.020 0.000 0.753 327 K HN 0.504 nan 8.250 nan 0.000 0.466 328 N N 0.624 119.329 118.700 0.008 0.000 2.467 328 N HA -0.075 4.666 4.740 0.001 0.000 0.184 328 N C 1.060 176.587 175.510 0.028 0.000 1.106 328 N CA 0.438 53.504 53.050 0.026 0.000 0.892 328 N CB 0.078 38.583 38.487 0.029 0.000 0.969 328 N HN 0.124 nan 8.380 nan 0.000 0.454 329 T N 0.600 115.148 114.554 -0.011 0.000 2.905 329 T HA 0.009 4.360 4.350 0.001 0.000 0.400 329 T C -0.172 174.500 174.700 -0.046 0.000 1.098 329 T CA 0.376 62.411 62.100 -0.108 0.000 1.095 329 T CB 0.177 68.993 68.868 -0.087 0.000 1.281 329 T HN 0.567 nan 8.240 nan 0.000 0.515 330 H N -2.189 116.906 119.070 0.043 0.000 3.024 330 H HA 0.553 5.110 4.556 0.001 0.000 0.324 330 H C -3.217 172.115 175.328 0.008 0.000 1.347 330 H CA -1.875 54.185 56.048 0.020 0.000 1.182 330 H CB -0.054 29.714 29.762 0.009 0.000 1.889 330 H HN 0.360 nan 8.280 nan 0.000 0.528 331 P HA 0.123 nan 4.420 nan 0.000 0.272 331 P C 0.695 178.042 177.300 0.078 0.000 1.223 331 P CA -0.342 62.809 63.100 0.085 0.000 0.784 331 P CB 1.577 33.282 31.700 0.009 0.000 0.923 332 I N -0.483 120.031 120.570 -0.094 0.000 2.493 332 I HA -0.139 4.031 4.170 0.001 0.000 0.254 332 I C 1.495 177.372 176.117 -0.400 0.000 1.160 332 I CA 1.096 62.209 61.300 -0.311 0.000 1.445 332 I CB -0.317 37.304 38.000 -0.631 0.000 1.086 332 I HN 0.476 nan 8.210 nan 0.000 0.433 333 E N 1.970 122.021 120.200 -0.248 0.000 2.217 333 E HA 0.222 4.572 4.350 0.001 0.000 0.279 333 E C -1.163 175.424 176.600 -0.021 0.000 1.068 333 E CA -0.064 56.275 56.400 -0.103 0.000 0.882 333 E CB 0.647 30.336 29.700 -0.019 0.000 1.039 333 E HN -0.063 nan 8.360 nan 0.000 0.418 334 V N 5.205 125.141 119.914 0.037 0.000 2.445 334 V HA 0.101 4.222 4.120 0.001 0.000 0.283 334 V C -0.868 175.301 176.094 0.125 0.000 1.014 334 V CA -1.031 61.293 62.300 0.040 0.000 0.852 334 V CB 1.534 33.338 31.823 -0.031 0.000 1.021 334 V HN 0.741 nan 8.190 nan 0.000 0.435 335 D N 2.889 123.370 120.400 0.135 0.000 2.488 335 D HA 0.285 4.925 4.640 0.001 0.000 0.238 335 D C -0.077 176.352 176.300 0.215 0.000 1.138 335 D CA 0.573 54.692 54.000 0.199 0.000 0.873 335 D CB 1.279 42.176 40.800 0.162 0.000 1.183 335 D HN 0.307 nan 8.370 nan 0.000 0.458 336 V N 3.327 123.439 119.914 0.330 0.000 2.513 336 V HA 0.375 4.495 4.120 0.001 0.000 0.299 336 V C 0.917 177.311 176.094 0.499 0.000 1.035 336 V CA -0.624 61.875 62.300 0.331 0.000 0.889 336 V CB 1.826 33.793 31.823 0.241 0.000 0.988 336 V HN 0.432 nan 8.190 nan 0.000 0.440 337 R N 2.047 122.745 120.500 0.329 0.000 2.140 337 R HA 0.222 4.562 4.340 0.001 0.000 0.200 337 R C 0.197 176.698 176.300 0.335 0.000 1.069 337 R CA 0.506 56.786 56.100 0.299 0.000 1.088 337 R CB 0.113 30.509 30.300 0.160 0.000 1.012 337 R HN 0.818 nan 8.270 nan 0.000 0.500 338 D N -0.551 119.982 120.400 0.221 0.000 2.308 338 D HA 0.274 4.914 4.640 0.001 0.000 0.242 338 D C -2.032 174.302 176.300 0.057 0.000 1.059 338 D CA -2.430 51.662 54.000 0.153 0.000 0.830 338 D CB 1.878 42.723 40.800 0.076 0.000 1.161 338 D HN -0.140 nan 8.370 nan 0.000 0.494 339 P HA -0.101 nan 4.420 nan 0.000 0.225 339 P C -0.442 176.663 177.300 -0.326 0.000 1.141 339 P CA 0.742 63.630 63.100 -0.353 0.000 0.774 339 P CB 0.126 31.568 31.700 -0.430 0.000 0.760 340 D N 0.635 120.938 120.400 -0.161 0.000 2.848 340 D HA -0.027 4.613 4.640 0.001 0.000 0.232 340 D C 0.540 176.774 176.300 -0.109 0.000 1.107 340 D CA 0.482 54.401 54.000 -0.135 0.000 1.020 340 D CB -0.318 40.438 40.800 -0.073 0.000 1.148 340 D HN 0.381 nan 8.370 nan 0.000 0.453 341 E N -0.644 119.470 120.200 -0.143 0.000 2.499 341 E HA 0.130 4.481 4.350 0.001 0.000 0.207 341 E C 1.159 177.748 176.600 -0.018 0.000 1.034 341 E CA -0.206 56.176 56.400 -0.030 0.000 1.098 341 E CB -0.487 29.226 29.700 0.022 0.000 1.148 341 E HN 0.328 nan 8.360 nan 0.000 0.447 342 I N 0.414 120.858 120.570 -0.209 0.000 3.001 342 I HA -0.107 4.064 4.170 0.001 0.000 0.268 342 I C 1.179 176.908 176.117 -0.646 0.000 1.267 342 I CA 1.149 62.128 61.300 -0.535 0.000 1.472 342 I CB -0.072 37.703 38.000 -0.375 0.000 1.089 342 I HN 0.257 nan 8.210 nan 0.000 0.468 343 S N -1.971 113.603 115.700 -0.211 0.000 2.817 343 S HA 0.103 4.574 4.470 0.001 0.000 0.262 343 S C 1.280 175.933 174.600 0.089 0.000 1.051 343 S CA -0.550 57.619 58.200 -0.052 0.000 1.185 343 S CB 0.261 63.433 63.200 -0.046 0.000 1.152 343 S HN 0.408 nan 8.310 nan 0.000 0.653 344 Q N 1.248 121.112 119.800 0.106 0.000 1.994 344 Q HA 0.289 4.630 4.340 0.001 0.000 0.197 344 Q C 1.763 177.860 176.000 0.162 0.000 0.981 344 Q CA 0.734 56.600 55.803 0.104 0.000 0.838 344 Q CB -0.317 28.461 28.738 0.067 0.000 0.904 344 Q HN 0.373 nan 8.270 nan 0.000 0.460 345 I N 0.914 121.623 120.570 0.231 0.000 2.800 345 I HA -0.097 4.074 4.170 0.001 0.000 0.266 345 I C -0.387 175.833 176.117 0.171 0.000 1.249 345 I CA 0.631 62.059 61.300 0.214 0.000 1.458 345 I CB -0.102 38.066 38.000 0.279 0.000 1.093 345 I HN 0.087 nan 8.210 nan 0.000 0.466 346 F N 1.338 121.344 119.950 0.094 0.000 2.384 346 F HA 0.465 4.993 4.527 0.000 0.000 0.338 346 F C 0.394 176.218 175.800 0.039 0.000 1.103 346 F CA -0.405 57.700 58.000 0.174 0.000 1.157 346 F CB 0.486 39.679 39.000 0.322 0.000 1.167 346 F HN -0.044 nan 8.300 nan 0.000 0.529 347 D N 1.042 121.500 120.400 0.096 0.000 2.898 347 D HA -0.036 4.604 4.640 0.001 0.000 0.254 347 D C 0.107 176.457 176.300 0.084 0.000 1.107 347 D CA -0.223 53.855 54.000 0.131 0.000 0.729 347 D CB 1.153 42.062 40.800 0.182 0.000 1.734 347 D HN 0.623 nan 8.370 nan 0.000 0.452 348 E N 1.721 121.999 120.200 0.131 0.000 2.510 348 E HA -0.114 4.236 4.350 0.001 0.000 0.202 348 E C 1.365 177.990 176.600 0.041 0.000 1.072 348 E CA 0.552 57.018 56.400 0.111 0.000 0.883 348 E CB 0.526 30.275 29.700 0.081 0.000 0.818 348 E HN 0.381 nan 8.360 nan 0.000 0.548 349 I N 2.022 122.593 120.570 0.002 0.000 2.364 349 I HA -0.162 4.008 4.170 0.001 0.000 0.241 349 I C 2.581 178.655 176.117 -0.072 0.000 1.082 349 I CA 1.303 62.571 61.300 -0.053 0.000 1.401 349 I CB -1.175 36.731 38.000 -0.156 0.000 1.126 349 I HN 0.149 nan 8.210 nan 0.000 0.429 350 S N 0.776 116.411 115.700 -0.109 0.000 2.400 350 S HA -0.204 4.266 4.470 0.001 0.000 0.232 350 S C 1.937 176.494 174.600 -0.072 0.000 1.025 350 S CA 1.309 59.386 58.200 -0.206 0.000 0.993 350 S CB -0.692 62.275 63.200 -0.388 0.000 0.808 350 S HN 0.379 nan 8.310 nan 0.000 0.478 351 Y N 1.686 122.081 120.300 0.159 0.000 2.396 351 Y HA 0.430 4.980 4.550 0.001 0.000 0.292 351 Y C 2.883 178.869 175.900 0.145 0.000 1.128 351 Y CA -0.367 57.842 58.100 0.183 0.000 1.194 351 Y CB -1.254 37.285 38.460 0.131 0.000 1.124 351 Y HN 0.320 nan 8.280 nan 0.000 0.543 352 G N 0.287 109.202 108.800 0.191 0.000 2.414 352 G HA2 -0.253 3.707 3.960 0.001 0.000 0.215 352 G HA3 -0.253 3.707 3.960 0.001 0.000 0.215 352 G C 1.706 176.564 174.900 -0.069 0.000 1.188 352 G CA 1.010 46.133 45.100 0.039 0.000 0.783 352 G HN 0.322 nan 8.290 nan 0.000 0.537 353 K N 0.493 120.792 120.400 -0.168 0.000 2.217 353 K HA 0.067 4.387 4.320 0.001 0.000 0.202 353 K C 2.505 178.919 176.600 -0.310 0.000 1.051 353 K CA 1.125 57.101 56.287 -0.519 0.000 0.952 353 K CB -0.433 31.728 32.500 -0.566 0.000 0.736 353 K HN 0.230 nan 8.250 nan 0.000 0.453 354 G N 0.511 109.308 108.800 -0.006 0.000 2.402 354 G HA2 -0.216 3.744 3.960 0.001 0.000 0.216 354 G HA3 -0.216 3.744 3.960 0.001 0.000 0.216 354 G C 1.540 176.632 174.900 0.320 0.000 1.162 354 G CA 0.750 46.000 45.100 0.249 0.000 0.777 354 G HN 0.396 nan 8.290 nan 0.000 0.539 355 A N 0.607 123.638 122.820 0.352 0.000 1.929 355 A HA 0.103 4.423 4.320 0.001 0.000 0.216 355 A C 2.679 180.547 177.584 0.473 0.000 1.176 355 A CA 2.047 54.377 52.037 0.488 0.000 0.628 355 A CB -0.552 18.884 19.000 0.726 0.000 0.816 355 A HN 0.283 nan 8.150 nan 0.000 0.444 356 S N 0.134 116.017 115.700 0.306 0.000 2.359 356 S HA -0.185 4.286 4.470 0.001 0.000 0.224 356 S C 1.884 176.488 174.600 0.006 0.000 1.035 356 S CA 1.654 59.972 58.200 0.197 0.000 1.018 356 S CB -0.656 62.501 63.200 -0.072 0.000 0.876 356 S HN 0.765 nan 8.310 nan 0.000 0.448 357 I N -0.894 119.574 120.570 -0.170 0.000 2.676 357 I HA -0.024 4.147 4.170 0.001 0.000 0.259 357 I C 1.831 177.842 176.117 -0.176 0.000 1.194 357 I CA 1.080 62.224 61.300 -0.260 0.000 1.473 357 I CB -0.390 37.405 38.000 -0.342 0.000 1.096 357 I HN 0.176 nan 8.210 nan 0.000 0.443 358 L N 0.929 122.106 121.223 -0.077 0.000 2.056 358 L HA -0.115 4.226 4.340 0.001 0.000 0.207 358 L C 2.949 179.501 176.870 -0.531 0.000 1.078 358 L CA 1.385 56.105 54.840 -0.201 0.000 0.749 358 L CB -0.507 41.411 42.059 -0.235 0.000 0.901 358 L HN 0.270 nan 8.230 nan 0.000 0.433 359 R N 0.157 120.458 120.500 -0.332 0.000 2.091 359 R HA -0.234 4.107 4.340 0.001 0.000 0.238 359 R C 2.383 178.543 176.300 -0.232 0.000 1.136 359 R CA 1.751 57.711 56.100 -0.232 0.000 0.959 359 R CB -0.200 30.103 30.300 0.005 0.000 0.856 359 R HN 0.268 nan 8.270 nan 0.000 0.437 360 M N -0.318 119.172 119.600 -0.183 0.000 2.132 360 M HA -0.130 4.350 4.480 0.001 0.000 0.263 360 M C 1.799 178.011 176.300 -0.146 0.000 1.065 360 M CA 1.546 56.745 55.300 -0.168 0.000 1.122 360 M CB -0.031 32.424 32.600 -0.241 0.000 1.365 360 M HN 0.243 nan 8.290 nan 0.000 0.411 361 I N 0.813 121.282 120.570 -0.168 0.000 2.676 361 I HA -0.193 3.977 4.170 0.001 0.000 0.259 361 I C 2.285 178.413 176.117 0.018 0.000 1.194 361 I CA 1.368 62.664 61.300 -0.006 0.000 1.473 361 I CB -0.438 37.597 38.000 0.058 0.000 1.096 361 I HN 0.460 nan 8.210 nan 0.000 0.443 362 E N -0.193 119.815 120.200 -0.319 0.000 2.072 362 E HA -0.251 4.100 4.350 0.001 0.000 0.190 362 E C 1.839 178.351 176.600 -0.147 0.000 0.982 362 E CA 1.142 57.235 56.400 -0.513 0.000 0.803 362 E CB -0.198 28.878 29.700 -1.039 0.000 0.755 362 E HN 0.504 nan 8.360 nan 0.000 0.453 363 D N -0.561 119.768 120.400 -0.119 0.000 2.178 363 D HA -0.179 4.462 4.640 0.001 0.000 0.202 363 D C 1.761 178.048 176.300 -0.022 0.000 0.974 363 D CA 0.686 54.626 54.000 -0.100 0.000 0.841 363 D CB -0.002 40.757 40.800 -0.068 0.000 0.953 363 D HN 0.228 nan 8.370 nan 0.000 0.478 364 Y N 1.362 121.609 120.300 -0.088 0.000 2.163 364 Y HA -0.044 4.506 4.550 0.001 0.000 0.288 364 Y C 2.088 177.984 175.900 -0.006 0.000 1.136 364 Y CA 1.919 59.997 58.100 -0.038 0.000 1.147 364 Y CB -0.554 37.893 38.460 -0.022 0.000 0.987 364 Y HN -0.025 nan 8.280 nan 0.000 0.509 365 A N -0.331 122.447 122.820 -0.070 0.000 2.132 365 A HA 0.455 4.775 4.320 0.001 0.000 0.213 365 A C 1.145 178.697 177.584 -0.053 0.000 1.154 365 A CA 0.852 52.819 52.037 -0.117 0.000 0.753 365 A CB -1.033 18.026 19.000 0.098 0.000 0.826 365 A HN 0.900 nan 8.150 nan 0.000 0.469 366 G N -2.419 106.347 108.800 -0.056 0.000 2.697 366 G HA2 -0.097 3.864 3.960 0.001 0.000 0.686 366 G HA3 -0.097 3.864 3.960 0.001 0.000 0.686 366 G C -0.003 174.938 174.900 0.069 0.000 1.179 366 G CA -0.201 44.831 45.100 -0.112 0.000 0.765 366 G HN 0.199 nan 8.290 nan 0.000 0.649 367 Y N 0.479 120.831 120.300 0.086 0.000 2.097 367 Y HA -0.089 4.461 4.550 0.001 0.000 0.282 367 Y C 2.788 178.799 175.900 0.186 0.000 1.152 367 Y CA 1.893 60.086 58.100 0.155 0.000 1.136 367 Y CB -0.407 38.124 38.460 0.117 0.000 0.975 367 Y HN 0.640 nan 8.280 nan 0.000 0.498 368 E N 0.437 120.791 120.200 0.257 0.000 2.051 368 E HA -0.179 4.171 4.350 0.001 0.000 0.192 368 E C 2.070 178.750 176.600 0.133 0.000 0.991 368 E CA 1.283 57.771 56.400 0.146 0.000 0.799 368 E CB -0.125 29.627 29.700 0.085 0.000 0.748 368 E HN 0.476 nan 8.360 nan 0.000 0.449 369 E N 0.123 120.407 120.200 0.139 0.000 2.031 369 E HA -0.139 4.212 4.350 0.001 0.000 0.193 369 E C 1.793 178.513 176.600 0.199 0.000 0.994 369 E CA 0.720 57.197 56.400 0.129 0.000 0.800 369 E CB -0.519 29.238 29.700 0.095 0.000 0.752 369 E HN 0.195 nan 8.360 nan 0.000 0.447 370 F N 1.618 121.647 119.950 0.132 0.000 2.043 370 F HA -0.270 4.257 4.527 0.001 0.000 0.297 370 F C 2.457 178.388 175.800 0.217 0.000 1.121 370 F CA 2.179 60.296 58.000 0.196 0.000 1.199 370 F CB -0.224 38.922 39.000 0.245 0.000 0.968 370 F HN -0.107 nan 8.300 nan 0.000 0.478 371 R N 0.636 121.333 120.500 0.329 0.000 2.096 371 R HA -0.220 4.120 4.340 0.001 0.000 0.240 371 R C 2.221 178.491 176.300 -0.049 0.000 1.139 371 R CA 2.170 58.290 56.100 0.033 0.000 0.952 371 R CB -0.365 29.799 30.300 -0.227 0.000 0.854 371 R HN 0.317 nan 8.270 nan 0.000 0.436 372 K N -0.751 119.650 120.400 0.000 0.000 2.097 372 K HA -0.037 4.283 4.320 0.001 0.000 0.205 372 K C 2.067 178.685 176.600 0.031 0.000 1.050 372 K CA 1.186 57.478 56.287 0.008 0.000 0.938 372 K CB -0.205 32.308 32.500 0.022 0.000 0.718 372 K HN 0.407 nan 8.250 nan 0.000 0.442 373 G N 1.664 110.481 108.800 0.029 0.000 2.418 373 G HA2 -0.200 3.760 3.960 0.001 0.000 0.217 373 G HA3 -0.200 3.760 3.960 0.001 0.000 0.217 373 G C 1.415 176.323 174.900 0.013 0.000 1.158 373 G CA 0.464 45.581 45.100 0.028 0.000 0.771 373 G HN 0.030 nan 8.290 nan 0.000 0.545 374 I N 1.315 121.862 120.570 -0.040 0.000 2.113 374 I HA -0.139 4.031 4.170 0.001 0.000 0.238 374 I C 2.935 179.144 176.117 0.153 0.000 1.070 374 I CA 1.602 62.913 61.300 0.018 0.000 1.332 374 I CB -1.282 36.848 38.000 0.217 0.000 1.044 374 I HN 0.245 nan 8.210 nan 0.000 0.402 375 S N 0.191 115.987 115.700 0.161 0.000 2.400 375 S HA -0.255 4.215 4.470 0.001 0.000 0.232 375 S C 2.107 176.767 174.600 0.101 0.000 1.025 375 S CA 1.744 60.034 58.200 0.151 0.000 0.993 375 S CB -0.158 63.100 63.200 0.097 0.000 0.808 375 S HN 0.401 nan 8.310 nan 0.000 0.478 376 K N -0.773 119.678 120.400 0.086 0.000 2.031 376 K HA -0.128 4.192 4.320 0.001 0.000 0.205 376 K C 2.081 178.715 176.600 0.056 0.000 1.049 376 K CA 1.424 57.743 56.287 0.055 0.000 0.939 376 K CB -0.497 32.035 32.500 0.053 0.000 0.717 376 K HN 0.533 nan 8.250 nan 0.000 0.438 377 Y N 1.794 122.073 120.300 -0.034 0.000 2.128 377 Y HA -0.240 4.310 4.550 0.001 0.000 0.284 377 Y C 1.743 177.627 175.900 -0.028 0.000 1.154 377 Y CA 1.653 59.746 58.100 -0.012 0.000 1.149 377 Y CB -0.281 38.150 38.460 -0.048 0.000 0.976 377 Y HN 0.019 nan 8.280 nan 0.000 0.505 378 L N 0.130 121.441 121.223 0.147 0.000 2.017 378 L HA -0.260 4.080 4.340 0.001 0.000 0.208 378 L C 2.112 178.924 176.870 -0.097 0.000 1.073 378 L CA 2.092 56.929 54.840 -0.005 0.000 0.745 378 L CB -0.704 41.384 42.059 0.047 0.000 0.894 378 L HN 0.293 nan 8.230 nan 0.000 0.432 379 N N -0.523 118.148 118.700 -0.049 0.000 2.244 379 N HA -0.170 4.570 4.740 0.001 0.000 0.183 379 N C 1.277 176.698 175.510 -0.150 0.000 1.016 379 N CA 0.945 53.959 53.050 -0.059 0.000 0.866 379 N CB 0.082 38.563 38.487 -0.011 0.000 0.980 379 N HN 0.233 nan 8.380 nan 0.000 0.430 380 D N -0.555 119.686 120.400 -0.265 0.000 2.178 380 D HA -0.070 4.570 4.640 0.001 0.000 0.202 380 D C 0.594 176.480 176.300 -0.689 0.000 0.974 380 D CA 1.135 54.842 54.000 -0.488 0.000 0.841 380 D CB 0.056 40.467 40.800 -0.648 0.000 0.953 380 D HN 0.444 nan 8.370 nan 0.000 0.478 381 H N -0.110 118.786 119.070 -0.290 0.000 2.567 381 H HA 0.133 4.689 4.556 0.000 0.000 0.267 381 H C -0.010 175.148 175.328 -0.283 0.000 1.148 381 H CA -0.250 55.608 56.048 -0.317 0.000 1.031 381 H CB 0.084 29.538 29.762 -0.515 0.000 1.691 381 H HN 0.209 nan 8.280 nan 0.000 0.588 382 K N 0.393 120.698 120.400 -0.159 0.000 2.485 382 K HA -0.034 4.287 4.320 0.001 0.000 0.277 382 K C -0.290 176.255 176.600 -0.093 0.000 0.990 382 K CA -0.134 56.010 56.287 -0.239 0.000 0.994 382 K CB 0.343 32.710 32.500 -0.222 0.000 0.906 382 K HN 0.017 nan 8.250 nan 0.000 0.488 383 F N -0.599 119.318 119.950 -0.054 0.000 3.069 383 F HA -0.288 4.240 4.527 0.002 0.000 0.285 383 F C 0.815 176.581 175.800 -0.057 0.000 0.827 383 F CA 0.922 58.910 58.000 -0.020 0.000 1.108 383 F CB -1.626 37.398 39.000 0.040 0.000 1.252 383 F HN 0.945 nan 8.300 nan 0.000 0.483 384 G N -0.827 107.962 108.800 -0.018 0.000 3.166 384 G HA2 0.699 4.660 3.960 0.001 0.000 0.267 384 G HA3 0.699 4.660 3.960 0.001 0.000 0.267 384 G C -1.277 173.535 174.900 -0.147 0.000 1.256 384 G CA -0.792 44.281 45.100 -0.045 0.000 0.859 384 G HN 0.061 nan 8.290 nan 0.000 0.590 385 N N -0.945 117.656 118.700 -0.164 0.000 2.265 385 N HA 0.760 5.500 4.740 0.001 0.000 0.300 385 N C -0.670 174.607 175.510 -0.388 0.000 1.148 385 N CA -0.161 52.740 53.050 -0.248 0.000 0.772 385 N CB 2.410 40.796 38.487 -0.169 0.000 1.434 385 N HN 0.850 nan 8.380 nan 0.000 0.481 386 A N 0.218 122.750 122.820 -0.481 0.000 2.594 386 A HA 0.613 4.934 4.320 0.001 0.000 0.295 386 A C -1.275 176.102 177.584 -0.346 0.000 1.071 386 A CA -0.813 50.839 52.037 -0.642 0.000 0.685 386 A CB 1.106 19.364 19.000 -1.237 0.000 1.285 386 A HN 0.729 nan 8.150 nan 0.000 0.405 387 E N 0.429 120.483 120.200 -0.242 0.000 2.243 387 E HA 0.593 4.944 4.350 0.001 0.000 0.260 387 E C 1.011 177.541 176.600 -0.117 0.000 0.985 387 E CA -0.479 55.849 56.400 -0.120 0.000 0.858 387 E CB 1.076 30.755 29.700 -0.034 0.000 1.210 387 E HN 0.723 nan 8.360 nan 0.000 0.411 388 G N 1.285 110.023 108.800 -0.103 0.000 2.574 388 G HA2 -0.440 3.521 3.960 0.001 0.000 0.220 388 G HA3 -0.440 3.521 3.960 0.001 0.000 0.220 388 G C 1.592 176.196 174.900 -0.493 0.000 1.173 388 G CA 1.884 46.823 45.100 -0.269 0.000 0.772 388 G HN 0.657 nan 8.290 nan 0.000 0.585 389 S N 0.818 116.519 115.700 0.003 0.000 2.392 389 S HA -0.212 4.258 4.470 0.001 0.000 0.232 389 S C 1.822 176.450 174.600 0.047 0.000 1.041 389 S CA 1.973 60.280 58.200 0.179 0.000 1.026 389 S CB -0.509 62.828 63.200 0.227 0.000 0.845 389 S HN 0.432 nan 8.310 nan 0.000 0.465 390 D N 1.198 121.592 120.400 -0.010 0.000 2.149 390 D HA -0.050 4.591 4.640 0.001 0.000 0.198 390 D C 1.862 178.246 176.300 0.141 0.000 0.990 390 D CA 1.067 55.112 54.000 0.075 0.000 0.839 390 D CB -0.340 40.437 40.800 -0.040 0.000 0.948 390 D HN 0.388 nan 8.370 nan 0.000 0.460 391 L N -0.216 120.930 121.223 -0.129 0.000 2.044 391 L HA -0.053 4.288 4.340 0.001 0.000 0.205 391 L C 2.035 178.785 176.870 -0.201 0.000 1.075 391 L CA 1.474 56.061 54.840 -0.421 0.000 0.747 391 L CB -0.897 40.452 42.059 -1.183 0.000 0.903 391 L HN 0.108 nan 8.230 nan 0.000 0.435 392 W N -0.764 120.594 121.300 0.097 0.000 2.363 392 W HA -0.154 4.507 4.660 0.001 0.000 0.296 392 W C 2.299 178.898 176.519 0.133 0.000 1.212 392 W CA 0.840 58.263 57.345 0.130 0.000 1.260 392 W CB -0.942 28.618 29.460 0.167 0.000 1.131 392 W HN 0.040 nan 8.180 nan 0.000 0.530 393 T N 0.445 115.184 114.554 0.309 0.000 2.777 393 T HA -0.133 4.217 4.350 0.001 0.000 0.266 393 T C 2.085 176.892 174.700 0.178 0.000 1.040 393 T CA 1.608 63.844 62.100 0.226 0.000 1.141 393 T CB -0.641 68.335 68.868 0.181 0.000 0.868 393 T HN 0.211 nan 8.240 nan 0.000 0.444 394 A N 1.423 124.341 122.820 0.163 0.000 1.883 394 A HA -0.045 4.276 4.320 0.001 0.000 0.217 394 A C 2.237 179.895 177.584 0.123 0.000 1.186 394 A CA 1.343 53.461 52.037 0.134 0.000 0.624 394 A CB -0.799 18.293 19.000 0.154 0.000 0.822 394 A HN 0.547 nan 8.150 nan 0.000 0.444 395 I N -0.695 119.963 120.570 0.146 0.000 2.493 395 I HA -0.193 3.978 4.170 0.001 0.000 0.254 395 I C 2.435 178.652 176.117 0.167 0.000 1.160 395 I CA 1.520 62.915 61.300 0.159 0.000 1.445 395 I CB -0.293 37.845 38.000 0.229 0.000 1.086 395 I HN 0.535 nan 8.210 nan 0.000 0.433 396 E N 1.140 121.454 120.200 0.189 0.000 2.152 396 E HA -0.221 4.129 4.350 0.001 0.000 0.192 396 E C 1.434 178.101 176.600 0.113 0.000 0.983 396 E CA 1.059 57.556 56.400 0.162 0.000 0.818 396 E CB 0.166 29.978 29.700 0.187 0.000 0.758 396 E HN 0.396 nan 8.360 nan 0.000 0.467 397 D N -0.164 120.299 120.400 0.105 0.000 2.234 397 D HA -0.077 4.564 4.640 0.001 0.000 0.205 397 D C 1.826 178.163 176.300 0.061 0.000 0.962 397 D CA 0.574 54.620 54.000 0.077 0.000 0.855 397 D CB 0.400 41.243 40.800 0.072 0.000 0.951 397 D HN 0.118 nan 8.370 nan 0.000 0.500 398 V N 0.838 120.792 119.914 0.066 0.000 2.878 398 V HA -0.095 4.025 4.120 0.001 0.000 0.250 398 V C 2.295 178.414 176.094 0.043 0.000 1.075 398 V CA 1.635 63.966 62.300 0.053 0.000 1.096 398 V CB 0.136 31.994 31.823 0.058 0.000 0.724 398 V HN 0.219 nan 8.190 nan 0.000 0.467 399 S N -0.912 114.815 115.700 0.045 0.000 2.497 399 S HA 0.291 4.762 4.470 0.001 0.000 0.218 399 S C 1.769 176.366 174.600 -0.005 0.000 1.023 399 S CA 0.807 59.013 58.200 0.010 0.000 0.913 399 S CB 0.878 64.074 63.200 -0.007 0.000 0.800 399 S HN 0.963 nan 8.310 nan 0.000 0.505 400 G N 1.422 110.236 108.800 0.023 0.000 2.184 400 G HA2 -0.271 3.689 3.960 0.001 0.000 0.264 400 G HA3 -0.271 3.689 3.960 0.001 0.000 0.264 400 G C 0.004 174.918 174.900 0.024 0.000 0.975 400 G CA 0.498 45.613 45.100 0.024 0.000 0.642 400 G HN 0.592 nan 8.290 nan 0.000 0.536 401 K N 1.097 121.498 120.400 0.002 0.000 2.098 401 K HA 0.423 4.744 4.320 0.001 0.000 0.261 401 K C -2.035 174.646 176.600 0.136 0.000 0.987 401 K CA -1.592 54.701 56.287 0.010 0.000 0.916 401 K CB 1.639 33.994 32.500 -0.241 0.000 1.039 401 K HN -0.043 nan 8.250 nan 0.000 0.455 402 P HA -0.013 nan 4.420 nan 0.000 0.238 402 P C 0.710 178.184 177.300 0.290 0.000 1.714 402 P CA 0.137 63.373 63.100 0.226 0.000 0.908 402 P CB -0.160 31.655 31.700 0.192 0.000 1.893 403 V N 0.832 120.934 119.914 0.313 0.000 2.392 403 V HA -0.258 3.863 4.120 0.001 0.000 0.249 403 V C 2.742 178.973 176.094 0.228 0.000 1.059 403 V CA 2.095 64.592 62.300 0.327 0.000 1.051 403 V CB -0.993 31.033 31.823 0.338 0.000 0.658 403 V HN 0.315 nan 8.190 nan 0.000 0.455 404 K N 0.012 120.564 120.400 0.254 0.000 2.057 404 K HA -0.185 4.136 4.320 0.001 0.000 0.206 404 K C 2.434 179.128 176.600 0.156 0.000 1.050 404 K CA 1.425 57.861 56.287 0.249 0.000 0.935 404 K CB -0.155 32.516 32.500 0.285 0.000 0.715 404 K HN 0.279 nan 8.250 nan 0.000 0.439 405 R N 0.224 120.822 120.500 0.163 0.000 2.073 405 R HA -0.103 4.238 4.340 0.001 0.000 0.234 405 R C 2.109 178.512 176.300 0.172 0.000 1.134 405 R CA 1.560 57.752 56.100 0.152 0.000 0.952 405 R CB -0.170 30.209 30.300 0.131 0.000 0.850 405 R HN 0.076 nan 8.270 nan 0.000 0.433 406 V N 0.978 120.987 119.914 0.159 0.000 2.295 406 V HA -0.297 3.823 4.120 0.001 0.000 0.246 406 V C 2.515 178.774 176.094 0.276 0.000 1.049 406 V CA 1.587 64.010 62.300 0.205 0.000 1.024 406 V CB -0.373 31.474 31.823 0.040 0.000 0.648 406 V HN 0.339 nan 8.190 nan 0.000 0.447 407 M N -0.431 119.161 119.600 -0.014 0.000 2.077 407 M HA -0.138 4.342 4.480 0.001 0.000 0.261 407 M C 2.216 178.450 176.300 -0.111 0.000 1.070 407 M CA 1.610 56.740 55.300 -0.283 0.000 1.125 407 M CB -1.284 30.668 32.600 -1.081 0.000 1.339 407 M HN 0.402 nan 8.290 nan 0.000 0.409 408 E N -1.052 119.109 120.200 -0.065 0.000 2.160 408 E HA -0.252 4.098 4.350 0.001 0.000 0.195 408 E C 1.891 178.552 176.600 0.102 0.000 0.991 408 E CA 1.275 57.715 56.400 0.067 0.000 0.810 408 E CB -0.231 29.549 29.700 0.133 0.000 0.742 408 E HN 0.487 nan 8.360 nan 0.000 0.466 409 Y N -0.606 119.736 120.300 0.070 0.000 2.184 409 Y HA -0.220 4.331 4.550 0.001 0.000 0.290 409 Y C 1.628 177.553 175.900 0.042 0.000 1.129 409 Y CA 1.534 59.638 58.100 0.007 0.000 1.144 409 Y CB -0.300 38.134 38.460 -0.044 0.000 0.995 409 Y HN 0.049 nan 8.280 nan 0.000 0.513 410 W N 0.159 121.590 121.300 0.218 0.000 2.392 410 W HA -0.215 4.445 4.660 0.001 0.000 0.279 410 W C 2.017 178.536 176.519 0.001 0.000 1.225 410 W CA 0.840 58.319 57.345 0.224 0.000 1.233 410 W CB -0.263 29.296 29.460 0.165 0.000 1.122 410 W HN 0.091 nan 8.180 nan 0.000 0.561 411 I N 0.255 120.888 120.570 0.104 0.000 2.333 411 I HA -0.167 4.003 4.170 0.001 0.000 0.246 411 I C 1.787 177.842 176.117 -0.104 0.000 1.106 411 I CA 1.471 62.718 61.300 -0.089 0.000 1.411 411 I CB -1.449 36.515 38.000 -0.061 0.000 1.082 411 I HN 0.058 nan 8.210 nan 0.000 0.420 412 K N 0.512 120.848 120.400 -0.106 0.000 2.305 412 K HA 0.046 4.366 4.320 0.001 0.000 0.199 412 K C 0.374 176.856 176.600 -0.197 0.000 1.047 412 K CA 0.293 56.498 56.287 -0.137 0.000 0.976 412 K CB 0.059 32.474 32.500 -0.142 0.000 0.765 412 K HN 0.313 nan 8.250 nan 0.000 0.474 413 N N 2.406 120.939 118.700 -0.279 0.000 2.419 413 N HA 0.202 4.943 4.740 0.001 0.000 0.277 413 N C -2.642 172.867 175.510 -0.001 0.000 1.006 413 N CA -1.433 51.449 53.050 -0.281 0.000 0.923 413 N CB 1.479 39.541 38.487 -0.708 0.000 1.140 413 N HN -0.024 nan 8.380 nan 0.000 0.488 414 P HA 0.189 nan 4.420 nan 0.000 0.274 414 P C 0.549 178.029 177.300 0.300 0.000 1.231 414 P CA 0.428 63.610 63.100 0.137 0.000 0.790 414 P CB 0.838 32.585 31.700 0.078 0.000 0.951 415 G N 1.048 110.030 108.800 0.304 0.000 2.660 415 G HA2 -0.008 3.952 3.960 0.001 0.000 0.215 415 G HA3 -0.008 3.952 3.960 0.001 0.000 0.215 415 G C -1.439 173.658 174.900 0.328 0.000 1.345 415 G CA -0.082 45.201 45.100 0.304 0.000 0.877 415 G HN 0.856 nan 8.290 nan 0.000 0.549 416 Y N -3.564 116.576 120.300 -0.267 0.000 2.641 416 Y HA 0.805 5.355 4.550 0.001 0.000 0.333 416 Y C -2.915 172.395 175.900 -0.984 0.000 1.174 416 Y CA -1.772 55.768 58.100 -0.934 0.000 1.057 416 Y CB 1.282 39.607 38.460 -0.226 0.000 1.322 416 Y HN 0.713 nan 8.280 nan 0.000 0.457 417 P HA 0.410 nan 4.420 nan 0.000 0.283 417 P C -1.406 175.899 177.300 0.008 0.000 1.271 417 P CA -0.594 62.308 63.100 -0.329 0.000 0.841 417 P CB 3.026 34.577 31.700 -0.249 0.000 1.122 418 V N 2.923 122.849 119.914 0.020 0.000 2.495 418 V HA 0.457 4.577 4.120 0.001 0.000 0.298 418 V C -0.402 175.639 176.094 -0.089 0.000 1.031 418 V CA -1.086 61.225 62.300 0.019 0.000 0.871 418 V CB 0.736 32.595 31.823 0.060 0.000 0.988 418 V HN 0.316 nan 8.190 nan 0.000 0.432 419 I N 6.582 127.092 120.570 -0.100 0.000 2.336 419 I HA 0.462 4.632 4.170 0.001 0.000 0.292 419 I C -0.166 175.775 176.117 -0.293 0.000 0.991 419 I CA -0.620 60.558 61.300 -0.204 0.000 1.227 419 I CB 1.579 39.474 38.000 -0.175 0.000 1.366 419 I HN 0.532 nan 8.210 nan 0.000 0.466 420 K N 7.216 127.351 120.400 -0.441 0.000 2.263 420 K HA 0.548 4.868 4.320 0.001 0.000 0.272 420 K C -1.021 175.433 176.600 -0.243 0.000 1.033 420 K CA -0.408 55.621 56.287 -0.430 0.000 0.884 420 K CB 1.494 33.605 32.500 -0.648 0.000 1.107 420 K HN 0.469 nan 8.250 nan 0.000 0.460 421 L N 3.614 124.732 121.223 -0.176 0.000 2.264 421 L HA 0.345 4.685 4.340 0.001 0.000 0.289 421 L C -0.014 176.878 176.870 0.036 0.000 1.044 421 L CA -0.452 54.355 54.840 -0.055 0.000 0.807 421 L CB 0.862 42.872 42.059 -0.081 0.000 1.192 421 L HN 0.494 nan 8.230 nan 0.000 0.425 422 K N 3.777 124.226 120.400 0.082 0.000 2.358 422 K HA 0.390 4.710 4.320 0.001 0.000 0.260 422 K C -0.634 176.016 176.600 0.083 0.000 0.956 422 K CA -0.901 55.443 56.287 0.095 0.000 0.834 422 K CB 1.342 33.913 32.500 0.119 0.000 1.102 422 K HN 0.329 nan 8.250 nan 0.000 0.431 423 R N 3.208 123.757 120.500 0.083 0.000 2.196 423 R HA 0.171 4.511 4.340 0.001 0.000 0.340 423 R C -1.354 174.980 176.300 0.057 0.000 1.043 423 R CA -0.341 55.803 56.100 0.074 0.000 0.883 423 R CB 0.010 30.361 30.300 0.084 0.000 1.078 423 R HN 0.711 nan 8.270 nan 0.000 0.462 424 N N 3.290 122.018 118.700 0.048 0.000 2.762 424 N HA 0.479 5.220 4.740 0.001 0.000 0.252 424 N C 0.117 175.645 175.510 0.031 0.000 1.269 424 N CA -0.121 52.951 53.050 0.036 0.000 0.799 424 N CB 1.585 40.090 38.487 0.030 0.000 1.173 424 N HN 0.750 nan 8.380 nan 0.000 0.516 425 G N 1.893 110.712 108.800 0.031 0.000 2.520 425 G HA2 -0.322 3.638 3.960 0.001 0.000 0.248 425 G HA3 -0.322 3.638 3.960 0.001 0.000 0.248 425 G C -0.142 174.776 174.900 0.030 0.000 1.161 425 G CA -0.144 44.972 45.100 0.027 0.000 0.946 425 G HN 0.752 nan 8.290 nan 0.000 0.565 426 R N 0.561 121.077 120.500 0.027 0.000 2.893 426 R HA 0.554 4.895 4.340 0.001 0.000 0.317 426 R C 0.287 176.606 176.300 0.032 0.000 1.239 426 R CA 0.152 56.270 56.100 0.030 0.000 1.128 426 R CB 0.292 30.607 30.300 0.024 0.000 1.377 426 R HN 0.476 nan 8.270 nan 0.000 0.583 427 K N 1.529 121.950 120.400 0.035 0.000 2.535 427 K HA 0.355 4.675 4.320 0.001 0.000 0.250 427 K C -1.403 175.224 176.600 0.044 0.000 0.948 427 K CA -0.627 55.681 56.287 0.036 0.000 0.796 427 K CB 1.801 34.318 32.500 0.028 0.000 1.216 427 K HN 0.134 nan 8.250 nan 0.000 0.432 428 I N 4.024 124.624 120.570 0.050 0.000 2.330 428 I HA 0.187 4.357 4.170 0.001 0.000 0.289 428 I C 0.195 176.345 176.117 0.055 0.000 1.001 428 I CA -0.674 60.662 61.300 0.060 0.000 1.193 428 I CB 1.847 39.891 38.000 0.073 0.000 1.345 428 I HN 0.627 nan 8.210 nan 0.000 0.461 429 T N 4.832 119.424 114.554 0.063 0.000 2.875 429 T HA 0.763 5.113 4.350 0.001 0.000 0.284 429 T C -0.359 174.401 174.700 0.100 0.000 0.995 429 T CA -0.871 61.271 62.100 0.071 0.000 1.060 429 T CB 1.500 70.408 68.868 0.067 0.000 0.967 429 T HN 0.570 nan 8.240 nan 0.000 0.476 430 M N 2.018 121.679 119.600 0.101 0.000 2.326 430 M HA 0.686 5.166 4.480 0.001 0.000 0.292 430 M C -1.709 174.686 176.300 0.159 0.000 1.081 430 M CA -1.265 54.089 55.300 0.091 0.000 0.919 430 M CB 1.823 34.419 32.600 -0.007 0.000 1.634 430 M HN 0.789 nan 8.290 nan 0.000 0.451 431 Y N 0.201 120.480 120.300 -0.035 0.000 2.633 431 Y HA 0.800 5.351 4.550 0.001 0.000 0.339 431 Y C -1.017 174.868 175.900 -0.025 0.000 1.045 431 Y CA -1.092 56.992 58.100 -0.026 0.000 1.098 431 Y CB 1.145 39.596 38.460 -0.015 0.000 1.296 431 Y HN 0.892 nan 8.280 nan 0.000 0.494 432 Q N 0.706 120.526 119.800 0.034 0.000 2.359 432 Q HA 0.889 5.229 4.340 0.001 0.000 0.275 432 Q C -1.373 174.655 176.000 0.047 0.000 1.082 432 Q CA -0.812 54.964 55.803 -0.045 0.000 0.849 432 Q CB 2.716 31.468 28.738 0.022 0.000 1.377 432 Q HN 0.960 nan 8.270 nan 0.000 0.452 433 T N -2.002 112.578 114.554 0.043 0.000 2.840 433 T HA 0.417 4.768 4.350 0.001 0.000 0.317 433 T C -0.970 173.817 174.700 0.146 0.000 1.401 433 T CA -1.092 61.076 62.100 0.113 0.000 1.028 433 T CB 1.399 70.320 68.868 0.088 0.000 1.317 433 T HN 0.828 nan 8.240 nan 0.000 0.495 434 R N 0.602 121.226 120.500 0.206 0.000 2.543 434 R HA 0.491 4.831 4.340 0.001 0.000 0.277 434 R C -1.052 175.258 176.300 0.017 0.000 1.074 434 R CA -0.619 55.600 56.100 0.198 0.000 1.076 434 R CB 0.224 30.685 30.300 0.267 0.000 0.993 434 R HN 0.633 nan 8.270 nan 0.000 0.459 435 F N 5.954 125.718 119.950 -0.310 0.000 2.411 435 F HA 0.427 4.955 4.527 0.001 0.000 0.350 435 F C -1.167 174.447 175.800 -0.310 0.000 1.114 435 F CA -0.435 57.379 58.000 -0.311 0.000 1.135 435 F CB 0.636 39.393 39.000 -0.404 0.000 1.120 435 F HN 0.320 nan 8.300 nan 0.000 0.495 436 L N 7.215 127.903 121.223 -0.891 0.000 2.445 436 L HA 0.296 4.636 4.340 0.001 0.000 0.262 436 L C 0.565 177.020 176.870 -0.692 0.000 0.974 436 L CA -0.787 53.694 54.840 -0.599 0.000 0.822 436 L CB 2.414 44.298 42.059 -0.292 0.000 1.339 436 L HN 0.660 nan 8.230 nan 0.000 0.409 437 L N 0.842 121.805 121.223 -0.432 0.000 2.131 437 L HA -0.058 4.283 4.340 0.001 0.000 0.210 437 L C 0.928 177.670 176.870 -0.213 0.000 1.092 437 L CA 1.390 56.062 54.840 -0.280 0.000 0.759 437 L CB -0.156 41.825 42.059 -0.129 0.000 0.903 437 L HN 0.657 nan 8.230 nan 0.000 0.435 438 N N -0.088 118.501 118.700 -0.185 0.000 2.804 438 N HA 0.397 5.137 4.740 0.001 0.000 0.251 438 N C -0.286 175.145 175.510 -0.131 0.000 1.250 438 N CA 0.419 53.386 53.050 -0.138 0.000 0.820 438 N CB 0.738 39.169 38.487 -0.094 0.000 1.156 438 N HN 0.252 nan 8.380 nan 0.000 0.512 439 G N 1.613 110.324 108.800 -0.147 0.000 2.343 439 G HA2 -0.029 3.932 3.960 0.001 0.000 0.562 439 G HA3 -0.029 3.932 3.960 0.001 0.000 0.562 439 G C -1.594 173.237 174.900 -0.115 0.000 1.269 439 G CA -0.752 44.280 45.100 -0.114 0.000 1.011 439 G HN 0.541 nan 8.290 nan 0.000 0.498 440 E N -1.123 119.036 120.200 -0.069 0.000 2.409 440 E HA 0.584 4.934 4.350 0.001 0.000 0.280 440 E C -1.589 175.008 176.600 -0.006 0.000 1.079 440 E CA -0.728 55.654 56.400 -0.029 0.000 0.840 440 E CB 1.649 31.353 29.700 0.008 0.000 1.309 440 E HN 0.538 nan 8.360 nan 0.000 0.447 441 E N 1.125 121.340 120.200 0.025 0.000 2.412 441 E HA 0.210 4.560 4.350 0.001 0.000 0.279 441 E C -1.096 175.539 176.600 0.057 0.000 0.984 441 E CA -0.884 55.533 56.400 0.028 0.000 0.788 441 E CB 1.371 31.083 29.700 0.020 0.000 1.277 441 E HN 0.441 nan 8.360 nan 0.000 0.455 442 E N 0.653 120.875 120.200 0.036 0.000 2.437 442 E HA 0.251 4.601 4.350 0.001 0.000 0.263 442 E C 0.131 176.767 176.600 0.060 0.000 1.030 442 E CA 0.314 56.740 56.400 0.044 0.000 0.934 442 E CB 0.568 30.272 29.700 0.006 0.000 0.943 442 E HN 0.560 nan 8.360 nan 0.000 0.444 443 G N 1.557 110.416 108.800 0.099 0.000 2.487 443 G HA2 0.432 4.392 3.960 0.001 0.000 0.314 443 G HA3 0.432 4.392 3.960 0.001 0.000 0.314 443 G C 0.075 174.998 174.900 0.040 0.000 1.267 443 G CA -0.598 44.609 45.100 0.178 0.000 0.937 443 G HN 0.305 nan 8.290 nan 0.000 0.481 444 R N 1.858 122.264 120.500 -0.156 0.000 2.690 444 R HA 0.113 4.453 4.340 0.001 0.000 0.419 444 R C -0.556 175.436 176.300 -0.514 0.000 1.090 444 R CA -0.586 55.361 56.100 -0.255 0.000 1.064 444 R CB 0.705 30.858 30.300 -0.244 0.000 1.391 444 R HN 0.498 nan 8.270 nan 0.000 0.586 445 W N 3.049 124.114 121.300 -0.390 0.000 2.272 445 W HA 0.206 4.866 4.660 0.001 0.000 0.318 445 W C -2.134 174.115 176.519 -0.449 0.000 1.255 445 W CA -2.093 54.886 57.345 -0.610 0.000 1.200 445 W CB 1.043 30.176 29.460 -0.544 0.000 1.170 445 W HN -0.123 nan 8.180 nan 0.000 0.549 446 P HA 0.046 nan 4.420 nan 0.000 0.241 446 P C -0.407 177.013 177.300 0.201 0.000 1.780 446 P CA 0.082 63.148 63.100 -0.057 0.000 1.111 446 P CB 0.848 32.489 31.700 -0.099 0.000 1.852 447 V N 4.872 124.881 119.914 0.157 0.000 2.406 447 V HA 0.377 4.498 4.120 0.001 0.000 0.272 447 V C -2.545 173.526 176.094 -0.039 0.000 1.043 447 V CA -2.875 59.550 62.300 0.208 0.000 0.915 447 V CB 1.061 32.924 31.823 0.066 0.000 0.988 447 V HN 0.164 nan 8.190 nan 0.000 0.466 448 P HA 0.193 nan 4.420 nan 0.000 0.274 448 P C -0.782 176.508 177.300 -0.017 0.000 1.291 448 P CA 0.182 63.188 63.100 -0.156 0.000 0.815 448 P CB 0.722 32.239 31.700 -0.305 0.000 0.897 449 V N 4.964 124.872 119.914 -0.011 0.000 2.370 449 V HA 0.263 4.383 4.120 0.001 0.000 0.279 449 V C 0.530 176.678 176.094 0.090 0.000 1.029 449 V CA -0.598 61.716 62.300 0.024 0.000 0.870 449 V CB 1.207 32.995 31.823 -0.058 0.000 0.984 449 V HN 0.520 nan 8.190 nan 0.000 0.451 450 N N 5.904 124.686 118.700 0.137 0.000 2.473 450 N HA 0.400 5.141 4.740 0.001 0.000 0.291 450 N C -1.258 174.298 175.510 0.077 0.000 1.083 450 N CA -0.400 52.703 53.050 0.088 0.000 0.951 450 N CB 1.526 40.055 38.487 0.070 0.000 1.164 450 N HN 0.431 nan 8.380 nan 0.000 0.480 451 I N 2.043 122.641 120.570 0.047 0.000 2.478 451 I HA 0.276 4.446 4.170 0.001 0.000 0.287 451 I C 0.171 176.296 176.117 0.013 0.000 1.042 451 I CA -0.581 60.742 61.300 0.040 0.000 1.067 451 I CB 1.386 39.408 38.000 0.036 0.000 1.233 451 I HN 0.412 nan 8.210 nan 0.000 0.431 452 K N 6.213 126.616 120.400 0.004 0.000 2.227 452 K HA 0.511 4.831 4.320 0.001 0.000 0.280 452 K C -0.228 176.339 176.600 -0.055 0.000 1.041 452 K CA -0.331 55.939 56.287 -0.030 0.000 0.905 452 K CB 1.726 34.200 32.500 -0.044 0.000 1.068 452 K HN 0.575 nan 8.250 nan 0.000 0.470 453 K N 1.733 122.097 120.400 -0.061 0.000 1.857 453 K HA 0.308 4.628 4.320 0.001 0.000 0.252 453 K C 0.564 177.117 176.600 -0.080 0.000 0.924 453 K CA -0.911 55.330 56.287 -0.077 0.000 0.788 453 K CB 0.586 33.062 32.500 -0.039 0.000 1.861 453 K HN 0.163 nan 8.250 nan 0.000 0.658 454 K N 0.846 121.212 120.400 -0.058 0.000 2.166 454 K HA 0.008 4.329 4.320 0.001 0.000 0.201 454 K C 0.337 176.922 176.600 -0.024 0.000 1.052 454 K CA 1.054 57.317 56.287 -0.041 0.000 0.969 454 K CB 0.103 32.589 32.500 -0.024 0.000 0.761 454 K HN 0.344 nan 8.250 nan 0.000 0.459 455 D N 0.201 120.590 120.400 -0.019 0.000 2.325 455 D HA 0.112 4.753 4.640 0.001 0.000 0.234 455 D C 0.804 177.095 176.300 -0.015 0.000 1.122 455 D CA 0.457 54.449 54.000 -0.013 0.000 0.850 455 D CB 0.674 41.469 40.800 -0.008 0.000 0.921 455 D HN 0.388 nan 8.370 nan 0.000 0.513 456 G N -0.739 108.049 108.800 -0.021 0.000 2.785 456 G HA2 -0.184 3.776 3.960 0.001 0.000 0.218 456 G HA3 -0.184 3.776 3.960 0.001 0.000 0.218 456 G C -0.951 173.935 174.900 -0.025 0.000 1.251 456 G CA -0.304 44.783 45.100 -0.021 0.000 1.129 456 G HN 0.137 nan 8.290 nan 0.000 0.573 457 V N 1.736 121.636 119.914 -0.023 0.000 2.483 457 V HA 0.559 4.680 4.120 0.001 0.000 0.297 457 V C -0.279 175.807 176.094 -0.013 0.000 1.027 457 V CA -0.499 61.789 62.300 -0.020 0.000 0.855 457 V CB 1.476 33.282 31.823 -0.027 0.000 0.995 457 V HN 0.625 nan 8.190 nan 0.000 0.424 458 E N 4.568 124.767 120.200 -0.002 0.000 2.200 458 E HA 0.514 4.864 4.350 0.001 0.000 0.283 458 E C -0.546 176.065 176.600 0.020 0.000 1.015 458 E CA -0.540 55.864 56.400 0.007 0.000 0.819 458 E CB 1.546 31.253 29.700 0.011 0.000 1.081 458 E HN 0.507 nan 8.360 nan 0.000 0.397 459 R N 3.140 123.655 120.500 0.024 0.000 2.711 459 R HA 0.659 5.000 4.340 0.001 0.000 0.284 459 R C -0.028 176.312 176.300 0.066 0.000 0.968 459 R CA -0.602 55.529 56.100 0.051 0.000 0.924 459 R CB 1.354 31.686 30.300 0.053 0.000 1.162 459 R HN 0.537 nan 8.270 nan 0.000 0.465 460 I N -1.842 118.780 120.570 0.087 0.000 3.352 460 I HA 0.490 4.660 4.170 0.001 0.000 0.316 460 I C -1.567 174.614 176.117 0.106 0.000 1.214 460 I CA -1.324 60.028 61.300 0.087 0.000 0.934 460 I CB 1.855 39.885 38.000 0.049 0.000 1.310 460 I HN 0.340 nan 8.210 nan 0.000 0.475 461 L N 2.948 124.223 121.223 0.087 0.000 2.408 461 L HA 0.523 4.863 4.340 0.001 0.000 0.257 461 L C -0.896 175.980 176.870 0.010 0.000 1.053 461 L CA -0.464 54.406 54.840 0.050 0.000 0.922 461 L CB 0.976 43.093 42.059 0.097 0.000 1.261 461 L HN 0.622 nan 8.230 nan 0.000 0.458 462 L N 3.557 124.768 121.223 -0.021 0.000 2.453 462 L HA 0.282 4.622 4.340 0.001 0.000 0.272 462 L C 0.577 177.429 176.870 -0.030 0.000 1.182 462 L CA 1.228 56.050 54.840 -0.031 0.000 0.858 462 L CB 0.430 42.446 42.059 -0.070 0.000 1.120 462 L HN 0.797 nan 8.230 nan 0.000 0.474 463 E N 1.449 121.636 120.200 -0.022 0.000 3.968 463 E HA 0.080 4.430 4.350 0.001 0.000 0.219 463 E C -0.057 176.532 176.600 -0.018 0.000 1.310 463 E CA 0.139 56.517 56.400 -0.037 0.000 1.622 463 E CB 0.055 29.724 29.700 -0.052 0.000 1.730 463 E HN 0.766 nan 8.360 nan 0.000 0.629 464 D N 1.546 121.940 120.400 -0.009 0.000 2.063 464 D HA 0.030 4.670 4.640 0.001 0.000 0.289 464 D C 0.144 176.465 176.300 0.035 0.000 1.111 464 D CA 0.031 54.035 54.000 0.005 0.000 1.023 464 D CB 0.264 41.062 40.800 -0.003 0.000 1.152 464 D HN -0.062 nan 8.370 nan 0.000 0.465 465 E N -0.200 120.019 120.200 0.031 0.000 2.129 465 E HA 0.573 4.923 4.350 0.001 0.000 0.268 465 E C -1.504 175.116 176.600 0.034 0.000 0.900 465 E CA -0.659 55.772 56.400 0.052 0.000 0.755 465 E CB 1.000 30.709 29.700 0.015 0.000 1.117 465 E HN 0.434 nan 8.360 nan 0.000 0.410 466 A N 2.981 125.827 122.820 0.043 0.000 2.389 466 A HA 0.846 5.167 4.320 0.001 0.000 0.293 466 A C -0.861 176.745 177.584 0.037 0.000 1.186 466 A CA -0.491 51.564 52.037 0.030 0.000 0.828 466 A CB 1.713 20.726 19.000 0.022 0.000 1.369 466 A HN 0.620 nan 8.150 nan 0.000 0.446 467 S N -0.383 115.335 115.700 0.030 0.000 2.541 467 S HA 0.743 5.213 4.470 0.001 0.000 0.271 467 S C -0.705 173.912 174.600 0.029 0.000 1.133 467 S CA -0.505 57.714 58.200 0.033 0.000 0.876 467 S CB 1.440 64.658 63.200 0.031 0.000 1.105 467 S HN 1.783 nan 8.310 nan 0.000 0.470 468 I N -1.498 119.092 120.570 0.033 0.000 3.042 468 I HA 0.737 4.908 4.170 0.001 0.000 0.310 468 I C -0.723 175.414 176.117 0.033 0.000 1.117 468 I CA -1.006 60.312 61.300 0.031 0.000 1.003 468 I CB 1.380 39.399 38.000 0.033 0.000 1.228 468 I HN 0.701 nan 8.210 nan 0.000 0.443 469 E N 2.127 122.344 120.200 0.029 0.000 2.299 469 E HA 0.452 4.802 4.350 0.001 0.000 0.272 469 E C 0.911 177.531 176.600 0.034 0.000 1.043 469 E CA 0.363 56.780 56.400 0.028 0.000 0.895 469 E CB 1.315 31.028 29.700 0.022 0.000 1.011 469 E HN 0.662 nan 8.360 nan 0.000 0.432 470 A N 3.889 126.733 122.820 0.040 0.000 2.070 470 A HA -0.135 4.186 4.320 0.001 0.000 0.220 470 A C 0.781 178.392 177.584 0.045 0.000 1.159 470 A CA 0.698 52.765 52.037 0.050 0.000 0.656 470 A CB -0.235 18.798 19.000 0.055 0.000 0.800 470 A HN 0.626 nan 8.150 nan 0.000 0.453 471 D N -1.104 119.317 120.400 0.035 0.000 2.358 471 D HA 0.401 5.042 4.640 0.001 0.000 0.258 471 D C 1.218 177.530 176.300 0.020 0.000 1.223 471 D CA 1.447 55.465 54.000 0.031 0.000 0.886 471 D CB 0.088 40.903 40.800 0.025 0.000 1.120 471 D HN 0.442 nan 8.370 nan 0.000 0.482 472 G N 3.271 112.084 108.800 0.022 0.000 2.176 472 G HA2 -0.275 3.685 3.960 0.001 0.000 0.253 472 G HA3 -0.275 3.685 3.960 0.001 0.000 0.253 472 G C 0.432 175.288 174.900 -0.073 0.000 0.979 472 G CA 0.080 45.171 45.100 -0.015 0.000 0.641 472 G HN 0.604 nan 8.290 nan 0.000 0.530 473 L N 1.386 122.588 121.223 -0.035 0.000 2.499 473 L HA 0.358 4.698 4.340 0.001 0.000 0.273 473 L C 1.472 178.245 176.870 -0.162 0.000 1.195 473 L CA -0.530 54.282 54.840 -0.047 0.000 0.882 473 L CB 0.149 42.227 42.059 0.031 0.000 1.133 473 L HN 0.111 nan 8.230 nan 0.000 0.483 474 I N 3.198 123.643 120.570 -0.208 0.000 3.132 474 I HA 0.233 4.403 4.170 0.001 0.000 0.255 474 I C 0.426 176.483 176.117 -0.100 0.000 1.118 474 I CA 0.665 61.764 61.300 -0.335 0.000 1.463 474 I CB -0.443 37.361 38.000 -0.325 0.000 1.356 474 I HN 0.619 nan 8.210 nan 0.000 0.463 475 K N 0.304 120.685 120.400 -0.030 0.000 2.578 475 K HA 0.402 4.723 4.320 0.001 0.000 0.269 475 K C -1.785 174.894 176.600 0.132 0.000 0.941 475 K CA -0.579 55.748 56.287 0.068 0.000 0.847 475 K CB 2.499 35.000 32.500 0.001 0.000 1.397 475 K HN -0.180 nan 8.250 nan 0.000 0.422 476 I N 2.707 123.438 120.570 0.267 0.000 2.713 476 I HA 0.208 4.378 4.170 0.001 0.000 0.300 476 I C 0.686 176.895 176.117 0.154 0.000 1.009 476 I CA 0.372 61.783 61.300 0.185 0.000 1.305 476 I CB 0.779 38.867 38.000 0.146 0.000 1.430 476 I HN 0.888 nan 8.210 nan 0.000 0.546 477 N N 3.105 121.885 118.700 0.133 0.000 2.681 477 N HA -0.178 4.562 4.740 0.001 0.000 0.259 477 N C -0.389 175.108 175.510 -0.022 0.000 1.066 477 N CA 0.127 53.211 53.050 0.056 0.000 0.717 477 N CB -0.268 38.167 38.487 -0.086 0.000 0.885 477 N HN 0.845 nan 8.380 nan 0.000 0.547 478 A N 1.964 124.779 122.820 -0.008 0.000 2.566 478 A HA 0.088 4.408 4.320 0.001 0.000 0.245 478 A C 1.085 178.624 177.584 -0.073 0.000 1.056 478 A CA 1.077 53.091 52.037 -0.038 0.000 0.757 478 A CB 0.180 19.163 19.000 -0.028 0.000 0.979 478 A HN 0.685 nan 8.150 nan 0.000 0.508 479 D N 1.020 121.361 120.400 -0.097 0.000 3.012 479 D HA -0.187 4.454 4.640 0.001 0.000 0.222 479 D C 0.554 176.757 176.300 -0.161 0.000 1.167 479 D CA 1.620 55.545 54.000 -0.124 0.000 0.854 479 D CB -1.694 39.048 40.800 -0.096 0.000 1.107 479 D HN 0.993 nan 8.370 nan 0.000 0.421 480 S N -2.401 113.188 115.700 -0.185 0.000 3.533 480 S HA -0.320 4.150 4.470 0.001 0.000 0.347 480 S C 1.624 176.150 174.600 -0.124 0.000 1.101 480 S CA 1.154 59.227 58.200 -0.213 0.000 1.009 480 S CB -1.250 61.742 63.200 -0.345 0.000 0.916 480 S HN 0.795 nan 8.310 nan 0.000 0.496 481 A N 0.677 123.426 122.820 -0.119 0.000 1.933 481 A HA 0.342 4.662 4.320 0.001 0.000 0.218 481 A C 1.433 178.959 177.584 -0.096 0.000 1.175 481 A CA 1.246 53.230 52.037 -0.088 0.000 0.628 481 A CB -0.591 18.353 19.000 -0.093 0.000 0.814 481 A HN 1.039 nan 8.150 nan 0.000 0.444 482 G N -1.923 106.765 108.800 -0.187 0.000 2.432 482 G HA2 0.388 4.348 3.960 0.001 0.000 0.257 482 G HA3 0.388 4.348 3.960 0.001 0.000 0.257 482 G C -0.436 174.241 174.900 -0.372 0.000 1.238 482 G CA -0.495 44.480 45.100 -0.208 0.000 0.838 482 G HN 0.212 nan 8.290 nan 0.000 0.547 483 F N 4.510 124.279 119.950 -0.301 0.000 2.661 483 F HA 0.455 4.983 4.527 0.001 0.000 0.356 483 F C -0.373 175.394 175.800 -0.054 0.000 1.244 483 F CA -0.879 56.956 58.000 -0.274 0.000 1.290 483 F CB -0.934 37.906 39.000 -0.268 0.000 1.677 483 F HN 0.488 nan 8.300 nan 0.000 0.649 484 Y N 0.631 120.710 120.300 -0.368 0.000 2.702 484 Y HA 0.637 5.187 4.550 0.001 0.000 0.336 484 Y C -1.391 174.349 175.900 -0.266 0.000 1.203 484 Y CA -2.128 55.822 58.100 -0.249 0.000 1.072 484 Y CB 0.821 39.270 38.460 -0.018 0.000 1.327 484 Y HN 0.056 nan 8.280 nan 0.000 0.456 485 R N 0.867 121.335 120.500 -0.054 0.000 2.720 485 R HA 0.850 5.190 4.340 0.001 0.000 0.272 485 R C -1.603 174.744 176.300 0.078 0.000 0.991 485 R CA -1.398 54.606 56.100 -0.159 0.000 1.010 485 R CB 2.496 32.518 30.300 -0.464 0.000 1.141 485 R HN 0.492 nan 8.270 nan 0.000 0.494 486 V N 2.664 122.644 119.914 0.109 0.000 2.407 486 V HA 0.241 4.361 4.120 0.001 0.000 0.291 486 V C -0.223 175.872 176.094 0.000 0.000 1.018 486 V CA -0.693 61.591 62.300 -0.027 0.000 0.842 486 V CB 1.695 33.378 31.823 -0.233 0.000 0.996 486 V HN 0.555 nan 8.190 nan 0.000 0.426 487 L N 6.313 127.388 121.223 -0.248 0.000 2.302 487 L HA 0.467 4.808 4.340 0.001 0.000 0.285 487 L C -0.866 175.835 176.870 -0.281 0.000 1.090 487 L CA -0.312 54.255 54.840 -0.456 0.000 0.866 487 L CB 0.138 41.805 42.059 -0.653 0.000 1.244 487 L HN 0.581 nan 8.230 nan 0.000 0.435 488 Y N 1.775 122.054 120.300 -0.035 0.000 2.304 488 Y HA 0.140 4.690 4.550 0.001 0.000 0.327 488 Y C 0.739 176.647 175.900 0.014 0.000 1.209 488 Y CA -0.804 57.337 58.100 0.068 0.000 1.299 488 Y CB 0.614 39.246 38.460 0.287 0.000 1.249 488 Y HN 0.578 nan 8.280 nan 0.000 0.519 489 D N -0.110 120.416 120.400 0.210 0.000 2.387 489 D HA 0.030 4.670 4.640 0.001 0.000 0.251 489 D C 0.268 176.680 176.300 0.188 0.000 1.141 489 D CA -0.445 53.634 54.000 0.132 0.000 0.987 489 D CB 0.631 41.494 40.800 0.105 0.000 1.116 489 D HN 0.458 nan 8.370 nan 0.000 0.491 490 D N 0.205 120.685 120.400 0.133 0.000 2.149 490 D HA -0.215 4.425 4.640 0.001 0.000 0.194 490 D C 1.856 178.255 176.300 0.166 0.000 1.001 490 D CA 2.367 56.458 54.000 0.152 0.000 0.849 490 D CB -0.525 40.333 40.800 0.097 0.000 0.939 490 D HN 0.578 nan 8.370 nan 0.000 0.449 491 A N 0.538 123.436 122.820 0.130 0.000 1.835 491 A HA -0.164 4.156 4.320 0.001 0.000 0.215 491 A C 2.427 180.085 177.584 0.124 0.000 1.199 491 A CA 2.512 54.613 52.037 0.106 0.000 0.615 491 A CB -1.077 17.974 19.000 0.085 0.000 0.838 491 A HN 0.256 nan 8.150 nan 0.000 0.444 492 T N -0.793 113.867 114.554 0.176 0.000 2.759 492 T HA -0.149 4.202 4.350 0.001 0.000 0.269 492 T C 1.580 176.374 174.700 0.157 0.000 1.042 492 T CA 1.591 63.818 62.100 0.211 0.000 1.140 492 T CB -0.376 68.701 68.868 0.347 0.000 0.864 492 T HN 0.409 nan 8.240 nan 0.000 0.455 493 F N 1.403 121.384 119.950 0.052 0.000 2.325 493 F HA 0.068 4.596 4.527 0.001 0.000 0.299 493 F C 2.590 178.345 175.800 -0.075 0.000 1.090 493 F CA 0.644 58.588 58.000 -0.093 0.000 1.392 493 F CB -0.394 38.618 39.000 0.021 0.000 1.053 493 F HN 0.060 nan 8.300 nan 0.000 0.521 494 S N -0.134 115.554 115.700 -0.019 0.000 2.383 494 S HA -0.153 4.317 4.470 0.001 0.000 0.227 494 S C 1.717 176.220 174.600 -0.162 0.000 1.026 494 S CA 1.560 59.703 58.200 -0.095 0.000 0.981 494 S CB -0.401 62.797 63.200 -0.004 0.000 0.818 494 S HN 0.416 nan 8.310 nan 0.000 0.472 495 D N 1.086 121.426 120.400 -0.099 0.000 2.084 495 D HA -0.071 4.570 4.640 0.001 0.000 0.194 495 D C 2.101 178.354 176.300 -0.077 0.000 0.990 495 D CA 1.098 55.059 54.000 -0.065 0.000 0.826 495 D CB -0.863 39.962 40.800 0.041 0.000 0.971 495 D HN 0.271 nan 8.370 nan 0.000 0.453 496 V N 0.809 120.617 119.914 -0.176 0.000 2.380 496 V HA -0.268 3.852 4.120 0.001 0.000 0.251 496 V C 2.336 178.274 176.094 -0.260 0.000 1.063 496 V CA 1.399 63.560 62.300 -0.232 0.000 1.055 496 V CB -0.374 31.117 31.823 -0.554 0.000 0.657 496 V HN 0.127 nan 8.190 nan 0.000 0.455 497 M N 0.790 120.153 119.600 -0.395 0.000 2.319 497 M HA 0.051 4.531 4.480 0.001 0.000 0.265 497 M C 2.009 178.195 176.300 -0.190 0.000 1.068 497 M CA 1.494 56.616 55.300 -0.298 0.000 1.118 497 M CB -1.081 31.297 32.600 -0.370 0.000 1.395 497 M HN 0.323 nan 8.290 nan 0.000 0.435 498 G N -2.108 106.540 108.800 -0.254 0.000 2.559 498 G HA2 -0.188 3.772 3.960 0.001 0.000 0.216 498 G HA3 -0.188 3.772 3.960 0.001 0.000 0.216 498 G C 0.808 175.452 174.900 -0.427 0.000 1.126 498 G CA 0.709 45.605 45.100 -0.339 0.000 0.778 498 G HN 0.600 nan 8.290 nan 0.000 0.543 499 H N -2.781 116.241 119.070 -0.080 0.000 2.672 499 H HA 0.222 4.778 4.556 0.001 0.000 0.277 499 H C 1.411 176.718 175.328 -0.035 0.000 1.074 499 H CA -0.788 55.225 56.048 -0.057 0.000 1.173 499 H CB 0.233 29.950 29.762 -0.075 0.000 1.558 499 H HN 0.225 nan 8.280 nan 0.000 0.539 500 Y N 2.023 122.267 120.300 -0.094 0.000 2.108 500 Y HA -0.388 4.162 4.550 0.001 0.000 0.274 500 Y C 2.212 178.073 175.900 -0.065 0.000 1.229 500 Y CA 1.854 59.884 58.100 -0.118 0.000 1.129 500 Y CB -0.017 38.322 38.460 -0.202 0.000 0.946 500 Y HN 0.104 nan 8.280 nan 0.000 0.509 501 R N -0.251 120.365 120.500 0.193 0.000 2.193 501 R HA -0.148 4.192 4.340 0.001 0.000 0.229 501 R C 1.061 177.396 176.300 0.059 0.000 1.110 501 R CA 1.353 57.525 56.100 0.119 0.000 0.988 501 R CB -0.195 30.143 30.300 0.064 0.000 0.871 501 R HN 0.455 nan 8.270 nan 0.000 0.458 502 D N -0.053 120.377 120.400 0.049 0.000 2.348 502 D HA 0.038 4.678 4.640 0.001 0.000 0.211 502 D C 0.299 176.581 176.300 -0.030 0.000 0.998 502 D CA 0.382 54.393 54.000 0.019 0.000 0.873 502 D CB 0.192 41.014 40.800 0.038 0.000 0.925 502 D HN 0.109 nan 8.370 nan 0.000 0.524 503 L N 1.418 122.597 121.223 -0.073 0.000 2.367 503 L HA 0.165 4.505 4.340 0.001 0.000 0.275 503 L C 1.090 177.897 176.870 -0.105 0.000 1.129 503 L CA -0.510 54.253 54.840 -0.129 0.000 0.839 503 L CB 0.758 42.666 42.059 -0.252 0.000 1.133 503 L HN -0.094 nan 8.230 nan 0.000 0.453 504 S N 3.438 119.085 115.700 -0.089 0.000 2.614 504 S HA 0.304 4.775 4.470 0.001 0.000 0.265 504 S C -1.469 173.077 174.600 -0.089 0.000 1.303 504 S CA -1.129 57.032 58.200 -0.065 0.000 1.000 504 S CB 1.038 64.208 63.200 -0.050 0.000 0.935 504 S HN 0.538 nan 8.310 nan 0.000 0.551 505 P HA -0.095 nan 4.420 nan 0.000 0.218 505 P C 1.581 178.797 177.300 -0.139 0.000 1.148 505 P CA 0.912 63.966 63.100 -0.077 0.000 0.822 505 P CB -0.020 31.660 31.700 -0.035 0.000 0.784 506 L N -0.349 120.792 121.223 -0.135 0.000 2.201 506 L HA -0.107 4.233 4.340 0.001 0.000 0.212 506 L C 2.200 178.888 176.870 -0.303 0.000 1.105 506 L CA 1.319 56.026 54.840 -0.222 0.000 0.775 506 L CB -0.625 41.351 42.059 -0.139 0.000 0.913 506 L HN -0.079 nan 8.230 nan 0.000 0.440 507 D N -0.062 120.210 120.400 -0.213 0.000 2.117 507 D HA -0.154 4.486 4.640 0.001 0.000 0.198 507 D C 2.274 178.436 176.300 -0.230 0.000 0.982 507 D CA 1.098 54.976 54.000 -0.202 0.000 0.828 507 D CB 0.064 40.775 40.800 -0.149 0.000 0.967 507 D HN 0.197 nan 8.370 nan 0.000 0.464 508 R N 0.234 120.605 120.500 -0.216 0.000 2.092 508 R HA 0.006 4.346 4.340 0.001 0.000 0.231 508 R C 2.476 178.582 176.300 -0.323 0.000 1.119 508 R CA 0.535 56.513 56.100 -0.204 0.000 0.970 508 R CB -0.237 30.007 30.300 -0.093 0.000 0.864 508 R HN 0.251 nan 8.270 nan 0.000 0.440 509 I N -0.393 119.964 120.570 -0.354 0.000 2.142 509 I HA -0.181 3.989 4.170 0.001 0.000 0.240 509 I C 2.528 178.363 176.117 -0.469 0.000 1.078 509 I CA 1.629 62.684 61.300 -0.408 0.000 1.343 509 I CB -1.063 36.604 38.000 -0.555 0.000 1.046 509 I HN 0.254 nan 8.210 nan 0.000 0.405 510 G N 1.852 110.260 108.800 -0.653 0.000 2.553 510 G HA2 -0.245 3.715 3.960 0.001 0.000 0.218 510 G HA3 -0.245 3.715 3.960 0.001 0.000 0.218 510 G C 1.715 176.464 174.900 -0.253 0.000 1.195 510 G CA 1.165 45.997 45.100 -0.447 0.000 0.779 510 G HN 0.313 nan 8.290 nan 0.000 0.577 511 L N 0.060 121.143 121.223 -0.232 0.000 2.012 511 L HA -0.127 4.213 4.340 0.001 0.000 0.210 511 L C 3.002 179.699 176.870 -0.288 0.000 1.073 511 L CA 0.790 55.543 54.840 -0.145 0.000 0.748 511 L CB -0.775 41.235 42.059 -0.081 0.000 0.891 511 L HN 0.114 nan 8.230 nan 0.000 0.431 512 V N -0.389 119.227 119.914 -0.496 0.000 2.515 512 V HA -0.274 3.846 4.120 0.001 0.000 0.250 512 V C 2.279 178.252 176.094 -0.202 0.000 1.058 512 V CA 1.839 63.864 62.300 -0.458 0.000 1.064 512 V CB -0.500 31.013 31.823 -0.516 0.000 0.675 512 V HN 0.507 nan 8.190 nan 0.000 0.461 513 D N 0.033 120.334 120.400 -0.166 0.000 2.103 513 D HA -0.166 4.474 4.640 0.001 0.000 0.199 513 D C 1.765 177.952 176.300 -0.189 0.000 0.978 513 D CA 1.312 55.263 54.000 -0.081 0.000 0.829 513 D CB 0.043 40.884 40.800 0.068 0.000 0.981 513 D HN 0.376 nan 8.370 nan 0.000 0.464 514 D N 0.482 120.681 120.400 -0.336 0.000 2.117 514 D HA -0.104 4.536 4.640 0.001 0.000 0.197 514 D C 2.340 178.164 176.300 -0.793 0.000 0.987 514 D CA 0.311 53.858 54.000 -0.754 0.000 0.829 514 D CB -0.422 39.979 40.800 -0.665 0.000 0.961 514 D HN 0.268 nan 8.370 nan 0.000 0.460 515 L N -0.324 120.753 121.223 -0.242 0.000 2.043 515 L HA -0.217 4.123 4.340 0.001 0.000 0.212 515 L C 2.323 179.318 176.870 0.208 0.000 1.075 515 L CA 0.985 55.877 54.840 0.087 0.000 0.752 515 L CB -0.349 41.778 42.059 0.112 0.000 0.891 515 L HN 0.026 nan 8.230 nan 0.000 0.432 516 F N 0.416 120.357 119.950 -0.015 0.000 2.163 516 F HA -0.124 4.404 4.527 0.001 0.000 0.297 516 F C 2.407 178.131 175.800 -0.128 0.000 1.094 516 F CA 1.036 58.986 58.000 -0.083 0.000 1.290 516 F CB -0.305 38.636 39.000 -0.100 0.000 1.017 516 F HN -0.016 nan 8.300 nan 0.000 0.483 517 A N -0.369 122.317 122.820 -0.223 0.000 1.972 517 A HA -0.147 4.173 4.320 0.001 0.000 0.219 517 A C 2.191 179.832 177.584 0.096 0.000 1.169 517 A CA 1.512 53.445 52.037 -0.172 0.000 0.635 517 A CB -1.473 17.351 19.000 -0.294 0.000 0.810 517 A HN 0.496 nan 8.150 nan 0.000 0.446 518 F N -0.854 119.145 119.950 0.082 0.000 2.293 518 F HA -0.020 4.507 4.527 0.001 0.000 0.297 518 F C 2.186 178.011 175.800 0.042 0.000 1.089 518 F CA 0.278 58.384 58.000 0.175 0.000 1.377 518 F CB -0.018 39.050 39.000 0.114 0.000 1.051 518 F HN 0.182 nan 8.300 nan 0.000 0.511 519 L N 0.792 122.049 121.223 0.058 0.000 2.083 519 L HA -0.190 4.151 4.340 0.001 0.000 0.209 519 L C 1.968 178.706 176.870 -0.221 0.000 1.083 519 L CA 1.841 56.581 54.840 -0.167 0.000 0.752 519 L CB -0.575 41.105 42.059 -0.631 0.000 0.899 519 L HN 0.251 nan 8.230 nan 0.000 0.433 520 L N -0.276 120.762 121.223 -0.308 0.000 2.049 520 L HA -0.152 4.189 4.340 0.001 0.000 0.203 520 L C 2.891 179.707 176.870 -0.090 0.000 1.074 520 L CA 1.306 56.001 54.840 -0.242 0.000 0.749 520 L CB -0.698 41.172 42.059 -0.314 0.000 0.907 520 L HN 0.362 nan 8.230 nan 0.000 0.439 521 S N -0.135 115.573 115.700 0.013 0.000 2.383 521 S HA -0.107 4.363 4.470 0.001 0.000 0.229 521 S C 1.612 176.176 174.600 -0.061 0.000 1.030 521 S CA 1.092 59.291 58.200 -0.001 0.000 1.002 521 S CB -0.358 62.949 63.200 0.178 0.000 0.829 521 S HN 0.612 nan 8.310 nan 0.000 0.467 522 G N 0.012 108.815 108.800 0.005 0.000 2.138 522 G HA2 -0.180 3.780 3.960 0.001 0.000 0.193 522 G HA3 -0.180 3.780 3.960 0.001 0.000 0.193 522 G C 0.416 175.262 174.900 -0.091 0.000 0.998 522 G CA 0.299 45.365 45.100 -0.058 0.000 0.668 522 G HN 0.578 nan 8.290 nan 0.000 0.516 523 H N -0.143 118.951 119.070 0.041 0.000 2.529 523 H HA 0.216 4.773 4.556 0.001 0.000 0.277 523 H C 1.532 176.807 175.328 -0.089 0.000 0.999 523 H CA 1.529 57.550 56.048 -0.045 0.000 1.256 523 H CB 0.412 30.117 29.762 -0.094 0.000 1.402 523 H HN 0.773 nan 8.280 nan 0.000 0.566 524 I N -1.052 119.575 120.570 0.095 0.000 2.894 524 I HA 0.320 4.490 4.170 0.001 0.000 0.302 524 I C -1.029 175.140 176.117 0.086 0.000 1.188 524 I CA -1.395 59.945 61.300 0.067 0.000 1.014 524 I CB 2.661 40.719 38.000 0.098 0.000 1.242 524 I HN -0.232 nan 8.210 nan 0.000 0.430 525 D N 2.869 123.318 120.400 0.082 0.000 2.387 525 D HA 0.480 5.120 4.640 0.001 0.000 0.255 525 D C -2.271 174.124 176.300 0.159 0.000 1.081 525 D CA -2.295 51.759 54.000 0.090 0.000 0.994 525 D CB 0.501 41.338 40.800 0.062 0.000 1.127 525 D HN 0.261 nan 8.370 nan 0.000 0.513 526 P HA -0.228 nan 4.420 nan 0.000 0.216 526 P C 1.186 178.695 177.300 0.347 0.000 1.154 526 P CA 1.588 64.879 63.100 0.318 0.000 0.865 526 P CB 0.161 32.020 31.700 0.265 0.000 0.789 527 E N -1.106 119.215 120.200 0.202 0.000 2.110 527 E HA -0.151 4.199 4.350 0.001 0.000 0.193 527 E C 1.483 178.170 176.600 0.145 0.000 0.988 527 E CA 1.553 58.045 56.400 0.155 0.000 0.804 527 E CB -0.350 29.403 29.700 0.089 0.000 0.745 527 E HN 0.155 nan 8.360 nan 0.000 0.458 528 T N 0.109 114.746 114.554 0.137 0.000 2.812 528 T HA -0.160 4.191 4.350 0.001 0.000 0.264 528 T C 1.439 176.205 174.700 0.110 0.000 1.042 528 T CA 1.280 63.438 62.100 0.096 0.000 1.140 528 T CB -0.501 68.409 68.868 0.069 0.000 0.870 528 T HN 0.358 nan 8.240 nan 0.000 0.445 529 Y N 2.552 122.900 120.300 0.080 0.000 2.070 529 Y HA -0.171 4.380 4.550 0.001 0.000 0.280 529 Y C 2.631 178.590 175.900 0.098 0.000 1.148 529 Y CA 1.641 59.789 58.100 0.080 0.000 1.125 529 Y CB -0.402 38.110 38.460 0.086 0.000 0.975 529 Y HN -0.048 nan 8.280 nan 0.000 0.492 530 R N 0.039 120.628 120.500 0.148 0.000 2.122 530 R HA -0.337 4.004 4.340 0.001 0.000 0.236 530 R C 2.313 178.552 176.300 -0.102 0.000 1.129 530 R CA 2.624 58.771 56.100 0.079 0.000 0.925 530 R CB -0.564 29.909 30.300 0.289 0.000 0.850 530 R HN 0.440 nan 8.270 nan 0.000 0.431 531 Q N -0.106 119.681 119.800 -0.021 0.000 2.062 531 Q HA -0.194 4.147 4.340 0.001 0.000 0.209 531 Q C 2.257 178.222 176.000 -0.058 0.000 0.996 531 Q CA 2.505 58.285 55.803 -0.038 0.000 0.859 531 Q CB -0.118 28.630 28.738 0.017 0.000 0.920 531 Q HN 0.369 nan 8.270 nan 0.000 0.415 532 R N -0.633 119.854 120.500 -0.021 0.000 2.092 532 R HA -0.097 4.244 4.340 0.001 0.000 0.231 532 R C 2.180 178.560 176.300 0.133 0.000 1.119 532 R CA 1.185 57.364 56.100 0.132 0.000 0.970 532 R CB -0.441 29.856 30.300 -0.006 0.000 0.864 532 R HN 0.239 nan 8.270 nan 0.000 0.440 533 I N 1.440 121.905 120.570 -0.175 0.000 2.394 533 I HA -0.194 3.976 4.170 0.001 0.000 0.251 533 I C 1.968 177.850 176.117 -0.390 0.000 1.136 533 I CA 1.292 62.487 61.300 -0.175 0.000 1.425 533 I CB -0.109 37.548 38.000 -0.573 0.000 1.079 533 I HN -0.010 nan 8.210 nan 0.000 0.425 534 R N 0.283 120.326 120.500 -0.763 0.000 2.127 534 R HA -0.197 4.143 4.340 0.001 0.000 0.238 534 R C 1.809 177.785 176.300 -0.540 0.000 1.134 534 R CA 1.770 57.186 56.100 -1.141 0.000 0.975 534 R CB -0.691 29.224 30.300 -0.641 0.000 0.865 534 R HN 0.454 nan 8.270 nan 0.000 0.447 535 N N -0.115 118.375 118.700 -0.350 0.000 2.348 535 N HA -0.145 4.595 4.740 0.001 0.000 0.185 535 N C 0.738 175.948 175.510 -0.500 0.000 1.019 535 N CA 1.160 53.938 53.050 -0.453 0.000 0.880 535 N CB -0.098 38.056 38.487 -0.556 0.000 0.965 535 N HN 0.201 nan 8.380 nan 0.000 0.437 536 F N -1.323 118.672 119.950 0.075 0.000 2.727 536 F HA 0.306 4.834 4.527 0.001 0.000 0.302 536 F C 1.097 177.116 175.800 0.366 0.000 1.097 536 F CA -0.328 57.820 58.000 0.247 0.000 1.330 536 F CB -0.352 38.768 39.000 0.201 0.000 1.084 536 F HN -0.002 nan 8.300 nan 0.000 0.578 537 F N 0.597 120.670 119.950 0.205 0.000 2.449 537 F HA -0.185 4.343 4.527 0.001 0.000 0.299 537 F C 0.934 176.857 175.800 0.205 0.000 1.092 537 F CA 0.403 58.596 58.000 0.322 0.000 1.446 537 F CB 0.013 39.164 39.000 0.251 0.000 1.084 537 F HN -0.020 nan 8.300 nan 0.000 0.567 538 D N -0.424 120.107 120.400 0.219 0.000 2.538 538 D HA 0.060 4.700 4.640 0.001 0.000 0.231 538 D C -0.353 175.910 176.300 -0.063 0.000 1.229 538 D CA 0.007 54.013 54.000 0.009 0.000 0.828 538 D CB -0.255 40.489 40.800 -0.094 0.000 1.035 538 D HN 0.174 nan 8.370 nan 0.000 0.495 539 D N 0.541 120.999 120.400 0.097 0.000 2.362 539 D HA 0.060 4.701 4.640 0.001 0.000 0.242 539 D C 0.592 176.834 176.300 -0.097 0.000 1.132 539 D CA 0.208 54.272 54.000 0.106 0.000 0.907 539 D CB 1.061 42.032 40.800 0.285 0.000 1.195 539 D HN -0.119 nan 8.370 nan 0.000 0.429 540 E N 0.958 121.075 120.200 -0.138 0.000 2.585 540 E HA 0.100 4.450 4.350 0.001 0.000 0.206 540 E C -0.973 175.696 176.600 0.115 0.000 1.007 540 E CA -0.151 56.103 56.400 -0.243 0.000 1.028 540 E CB 0.544 30.021 29.700 -0.371 0.000 1.087 540 E HN 0.367 nan 8.360 nan 0.000 0.455 541 D N 0.213 120.684 120.400 0.117 0.000 2.256 541 D HA 0.013 4.654 4.640 0.001 0.000 0.240 541 D C 1.478 177.858 176.300 0.133 0.000 1.062 541 D CA -0.451 53.628 54.000 0.131 0.000 0.832 541 D CB 0.713 41.531 40.800 0.030 0.000 1.135 541 D HN 0.113 nan 8.370 nan 0.000 0.484 542 H N 3.583 122.676 119.070 0.038 0.000 2.352 542 H HA -0.137 4.419 4.556 0.001 0.000 0.299 542 H C 0.699 176.034 175.328 0.011 0.000 1.097 542 H CA 1.214 57.275 56.048 0.021 0.000 1.311 542 H CB -0.137 29.591 29.762 -0.055 0.000 1.377 542 H HN 0.364 nan 8.280 nan 0.000 0.504 543 N N 0.983 119.291 118.700 -0.654 0.000 2.084 543 N HA -0.094 4.647 4.740 0.001 0.000 0.190 543 N C 2.309 177.729 175.510 -0.150 0.000 1.030 543 N CA 1.406 54.225 53.050 -0.385 0.000 0.849 543 N CB -0.399 37.836 38.487 -0.419 0.000 1.012 543 N HN 0.225 nan 8.380 nan 0.000 0.423 544 V N 2.387 122.234 119.914 -0.113 0.000 2.392 544 V HA -0.189 3.932 4.120 0.001 0.000 0.249 544 V C 2.343 178.465 176.094 0.046 0.000 1.059 544 V CA 1.033 63.311 62.300 -0.036 0.000 1.051 544 V CB -0.369 31.466 31.823 0.019 0.000 0.658 544 V HN 0.208 nan 8.190 nan 0.000 0.455 545 I N 0.407 121.047 120.570 0.116 0.000 2.113 545 I HA -0.215 3.956 4.170 0.001 0.000 0.238 545 I C 2.579 178.813 176.117 0.194 0.000 1.070 545 I CA 2.180 63.637 61.300 0.262 0.000 1.332 545 I CB -1.894 36.253 38.000 0.245 0.000 1.044 545 I HN 0.334 nan 8.210 nan 0.000 0.402 546 T N 1.575 116.184 114.554 0.090 0.000 2.759 546 T HA -0.145 4.206 4.350 0.001 0.000 0.269 546 T C 2.065 176.746 174.700 -0.031 0.000 1.042 546 T CA 1.570 63.696 62.100 0.042 0.000 1.140 546 T CB -0.410 68.468 68.868 0.017 0.000 0.864 546 T HN 0.468 nan 8.240 nan 0.000 0.455 547 A N 1.693 124.471 122.820 -0.069 0.000 1.902 547 A HA -0.044 4.276 4.320 0.001 0.000 0.217 547 A C 2.290 179.748 177.584 -0.210 0.000 1.181 547 A CA 1.117 53.073 52.037 -0.135 0.000 0.623 547 A CB -0.641 18.286 19.000 -0.121 0.000 0.818 547 A HN 0.431 nan 8.150 nan 0.000 0.443 548 I N -0.159 120.273 120.570 -0.229 0.000 2.142 548 I HA -0.202 3.969 4.170 0.001 0.000 0.240 548 I C 2.500 178.373 176.117 -0.407 0.000 1.078 548 I CA 1.305 62.342 61.300 -0.439 0.000 1.343 548 I CB -1.503 35.926 38.000 -0.951 0.000 1.046 548 I HN 0.138 nan 8.210 nan 0.000 0.405 549 V N 1.705 121.493 119.914 -0.210 0.000 2.278 549 V HA -0.284 3.837 4.120 0.001 0.000 0.251 549 V C 2.740 178.777 176.094 -0.096 0.000 1.062 549 V CA 2.404 64.681 62.300 -0.039 0.000 1.038 549 V CB -1.525 30.353 31.823 0.091 0.000 0.646 549 V HN 0.575 nan 8.190 nan 0.000 0.447 550 G N -1.860 106.860 108.800 -0.134 0.000 2.422 550 G HA2 -0.264 3.696 3.960 0.001 0.000 0.218 550 G HA3 -0.264 3.696 3.960 0.001 0.000 0.218 550 G C 1.495 176.222 174.900 -0.288 0.000 1.146 550 G CA 0.811 45.812 45.100 -0.165 0.000 0.769 550 G HN 0.549 nan 8.290 nan 0.000 0.547 551 Q N -1.001 118.526 119.800 -0.455 0.000 2.020 551 Q HA -0.050 4.291 4.340 0.001 0.000 0.202 551 Q C 2.570 178.392 176.000 -0.297 0.000 0.982 551 Q CA 1.449 56.802 55.803 -0.750 0.000 0.838 551 Q CB -0.197 28.155 28.738 -0.645 0.000 0.899 551 Q HN 0.401 nan 8.270 nan 0.000 0.423 552 M N 0.967 120.457 119.600 -0.183 0.000 2.067 552 M HA -0.213 4.268 4.480 0.001 0.000 0.260 552 M C 1.924 178.221 176.300 -0.005 0.000 1.069 552 M CA 1.848 57.110 55.300 -0.063 0.000 1.117 552 M CB -0.231 32.320 32.600 -0.081 0.000 1.334 552 M HN 0.245 nan 8.290 nan 0.000 0.407 553 E N -1.725 118.469 120.200 -0.010 0.000 2.331 553 E HA -0.269 4.081 4.350 0.001 0.000 0.199 553 E C 1.729 178.368 176.600 0.065 0.000 1.008 553 E CA 1.250 57.667 56.400 0.028 0.000 0.843 553 E CB -0.636 29.084 29.700 0.033 0.000 0.761 553 E HN 0.685 nan 8.360 nan 0.000 0.507 554 Y N 0.352 120.616 120.300 -0.061 0.000 2.436 554 Y HA 0.087 4.638 4.550 0.001 0.000 0.288 554 Y C 1.782 177.708 175.900 0.044 0.000 1.112 554 Y CA 0.311 58.406 58.100 -0.008 0.000 1.220 554 Y CB 0.158 38.612 38.460 -0.010 0.000 1.073 554 Y HN 0.023 nan 8.280 nan 0.000 0.552 555 L N 0.651 121.918 121.223 0.073 0.000 2.056 555 L HA -0.110 4.231 4.340 0.001 0.000 0.207 555 L C 2.188 179.065 176.870 0.011 0.000 1.078 555 L CA 1.624 56.500 54.840 0.061 0.000 0.749 555 L CB -0.909 41.215 42.059 0.109 0.000 0.901 555 L HN 0.134 nan 8.230 nan 0.000 0.433 556 R N -1.428 119.071 120.500 -0.002 0.000 2.237 556 R HA -0.115 4.226 4.340 0.001 0.000 0.219 556 R C 1.994 178.197 176.300 -0.161 0.000 1.080 556 R CA 0.831 56.888 56.100 -0.072 0.000 0.995 556 R CB -0.370 29.906 30.300 -0.040 0.000 0.875 556 R HN 0.281 nan 8.270 nan 0.000 0.462 557 M N 0.738 120.237 119.600 -0.170 0.000 2.619 557 M HA -0.020 4.460 4.480 0.001 0.000 0.251 557 M C 0.267 176.438 176.300 -0.216 0.000 1.106 557 M CA 1.226 56.406 55.300 -0.200 0.000 1.086 557 M CB 0.437 32.881 32.600 -0.261 0.000 1.465 557 M HN 0.161 nan 8.290 nan 0.000 0.506 558 L N -4.861 116.242 121.223 -0.200 0.000 3.467 558 L HA 0.506 4.846 4.340 0.001 0.000 0.315 558 L C 0.291 177.124 176.870 -0.061 0.000 1.184 558 L CA -0.188 54.567 54.840 -0.141 0.000 1.124 558 L CB 0.078 42.038 42.059 -0.164 0.000 1.585 558 L HN -0.071 nan 8.230 nan 0.000 0.617 559 T N -1.684 112.836 114.554 -0.056 0.000 2.840 559 T HA 0.497 4.848 4.350 0.001 0.000 0.317 559 T C -0.632 174.059 174.700 -0.016 0.000 1.401 559 T CA -0.203 61.927 62.100 0.050 0.000 1.028 559 T CB 0.963 69.896 68.868 0.107 0.000 1.317 559 T HN 0.250 nan 8.240 nan 0.000 0.495 560 H N 1.570 120.649 119.070 0.014 0.000 2.586 560 H HA 0.502 5.058 4.556 0.001 0.000 0.273 560 H C 2.017 177.329 175.328 -0.027 0.000 0.997 560 H CA 0.640 56.699 56.048 0.017 0.000 1.177 560 H CB 0.182 29.945 29.762 0.003 0.000 1.471 560 H HN 0.619 nan 8.280 nan 0.000 0.538 561 A N 0.164 122.980 122.820 -0.007 0.000 2.186 561 A HA -0.133 4.187 4.320 0.001 0.000 0.219 561 A C 1.004 178.301 177.584 -0.477 0.000 1.159 561 A CA 1.289 53.155 52.037 -0.285 0.000 0.680 561 A CB -0.782 17.931 19.000 -0.478 0.000 0.787 561 A HN 0.391 nan 8.150 nan 0.000 0.467 562 F N -1.037 118.984 119.950 0.119 0.000 2.682 562 F HA 0.111 4.639 4.527 0.001 0.000 0.308 562 F C 1.320 177.185 175.800 0.110 0.000 1.093 562 F CA -0.236 57.846 58.000 0.138 0.000 1.244 562 F CB 0.353 39.456 39.000 0.171 0.000 1.052 562 F HN 0.066 nan 8.300 nan 0.000 0.573 563 D N 0.949 121.466 120.400 0.194 0.000 2.116 563 D HA -0.221 4.419 4.640 0.001 0.000 0.193 563 D C 1.771 178.142 176.300 0.118 0.000 0.998 563 D CA 1.664 55.745 54.000 0.136 0.000 0.836 563 D CB -0.350 40.519 40.800 0.115 0.000 0.951 563 D HN 0.213 nan 8.370 nan 0.000 0.449 564 D N 0.545 121.013 120.400 0.113 0.000 2.106 564 D HA -0.156 4.484 4.640 0.001 0.000 0.191 564 D C 1.502 177.885 176.300 0.139 0.000 0.997 564 D CA 1.296 55.357 54.000 0.103 0.000 0.834 564 D CB -0.305 40.545 40.800 0.084 0.000 0.956 564 D HN 0.269 nan 8.370 nan 0.000 0.448 565 D N 0.263 120.796 120.400 0.221 0.000 2.178 565 D HA -0.037 4.603 4.640 0.001 0.000 0.202 565 D C 1.988 178.421 176.300 0.222 0.000 0.974 565 D CA 1.063 55.261 54.000 0.330 0.000 0.841 565 D CB -0.065 41.036 40.800 0.501 0.000 0.953 565 D HN 0.141 nan 8.370 nan 0.000 0.478 566 A N 0.731 123.640 122.820 0.149 0.000 1.877 566 A HA -0.213 4.107 4.320 0.001 0.000 0.216 566 A C 2.110 179.646 177.584 -0.082 0.000 1.186 566 A CA 1.334 53.389 52.037 0.030 0.000 0.620 566 A CB -0.455 18.577 19.000 0.054 0.000 0.822 566 A HN 0.060 nan 8.150 nan 0.000 0.443 567 R N -0.739 119.703 120.500 -0.098 0.000 2.097 567 R HA -0.169 4.171 4.340 0.001 0.000 0.236 567 R C 2.527 178.670 176.300 -0.262 0.000 1.135 567 R CA 1.529 57.474 56.100 -0.257 0.000 0.934 567 R CB -0.527 29.714 30.300 -0.098 0.000 0.846 567 R HN 0.513 nan 8.270 nan 0.000 0.431 568 A N 0.595 123.377 122.820 -0.063 0.000 1.917 568 A HA -0.253 4.067 4.320 0.001 0.000 0.219 568 A C 1.973 179.510 177.584 -0.078 0.000 1.182 568 A CA 1.694 53.732 52.037 0.002 0.000 0.633 568 A CB -0.824 18.269 19.000 0.155 0.000 0.819 568 A HN 0.482 nan 8.150 nan 0.000 0.448 569 F N 0.676 120.403 119.950 -0.371 0.000 2.031 569 F HA -0.242 4.285 4.527 0.001 0.000 0.295 569 F C 2.525 178.108 175.800 -0.361 0.000 1.133 569 F CA 1.654 59.295 58.000 -0.599 0.000 1.188 569 F CB -1.055 37.273 39.000 -1.120 0.000 0.974 569 F HN 0.306 nan 8.300 nan 0.000 0.473 570 C N 1.001 119.904 119.300 -0.662 0.000 2.396 570 C HA -0.220 4.241 4.460 0.001 0.000 0.277 570 C C 2.896 177.621 174.990 -0.442 0.000 1.231 570 C CA 1.564 60.158 59.018 -0.706 0.000 1.775 570 C CB -1.561 25.653 27.740 -0.877 0.000 2.036 570 C HN 0.533 nan 8.230 nan 0.000 0.484 571 R N 0.457 120.749 120.500 -0.347 0.000 2.075 571 R HA -0.128 4.213 4.340 0.001 0.000 0.232 571 R C 2.515 178.789 176.300 -0.044 0.000 1.126 571 R CA 1.633 57.757 56.100 0.041 0.000 0.963 571 R CB -0.389 29.950 30.300 0.065 0.000 0.858 571 R HN 0.531 nan 8.270 nan 0.000 0.435 572 S N 0.061 115.673 115.700 -0.146 0.000 2.348 572 S HA -0.119 4.351 4.470 0.001 0.000 0.221 572 S C 1.864 176.407 174.600 -0.095 0.000 1.033 572 S CA 1.102 59.242 58.200 -0.100 0.000 1.010 572 S CB -0.033 63.119 63.200 -0.080 0.000 0.891 572 S HN 0.289 nan 8.310 nan 0.000 0.442 573 R N 0.323 120.677 120.500 -0.244 0.000 2.148 573 R HA 0.171 4.512 4.340 0.001 0.000 0.223 573 R C 2.074 178.373 176.300 -0.002 0.000 1.088 573 R CA 0.726 56.771 56.100 -0.092 0.000 0.985 573 R CB -1.352 28.779 30.300 -0.282 0.000 0.880 573 R HN 0.430 nan 8.270 nan 0.000 0.451 574 M N 1.918 121.478 119.600 -0.068 0.000 2.149 574 M HA -0.185 4.296 4.480 0.001 0.000 0.261 574 M C 1.792 178.093 176.300 0.001 0.000 1.064 574 M CA 1.800 57.085 55.300 -0.025 0.000 1.102 574 M CB -0.268 32.327 32.600 -0.008 0.000 1.369 574 M HN 0.169 nan 8.290 nan 0.000 0.408 575 Q N -1.676 118.141 119.800 0.028 0.000 2.472 575 Q HA -0.042 4.299 4.340 0.001 0.000 0.208 575 Q C 1.478 177.530 176.000 0.086 0.000 0.958 575 Q CA 1.143 56.971 55.803 0.042 0.000 0.932 575 Q CB -0.898 27.867 28.738 0.045 0.000 1.007 575 Q HN 0.550 nan 8.270 nan 0.000 0.508 576 F N -0.139 119.786 119.950 -0.043 0.000 2.453 576 F HA 0.338 4.865 4.527 0.001 0.000 0.284 576 F C 1.177 176.960 175.800 -0.028 0.000 1.065 576 F CA 0.228 58.209 58.000 -0.032 0.000 1.411 576 F CB 0.213 39.193 39.000 -0.033 0.000 1.131 576 F HN 0.055 nan 8.300 nan 0.000 0.582 577 L N 0.030 121.053 121.223 -0.332 0.000 2.049 577 L HA -0.003 4.337 4.340 0.001 0.000 0.203 577 L C 0.861 177.575 176.870 -0.260 0.000 1.074 577 L CA 0.779 55.381 54.840 -0.396 0.000 0.749 577 L CB -1.258 40.715 42.059 -0.144 0.000 0.907 577 L HN -0.149 nan 8.230 nan 0.000 0.439 578 T N 1.020 115.490 114.554 -0.139 0.000 2.709 578 T HA 0.159 4.510 4.350 0.001 0.000 0.269 578 T C 1.036 175.668 174.700 -0.112 0.000 1.008 578 T CA 1.188 63.233 62.100 -0.092 0.000 1.194 578 T CB 0.174 69.015 68.868 -0.046 0.000 0.986 578 T HN 0.717 nan 8.240 nan 0.000 0.508 579 G N 3.180 111.919 108.800 -0.101 0.000 2.213 579 G HA2 -0.202 3.758 3.960 0.001 0.000 0.226 579 G HA3 -0.202 3.758 3.960 0.001 0.000 0.226 579 G C 0.165 174.994 174.900 -0.119 0.000 0.992 579 G CA -0.516 44.527 45.100 -0.095 0.000 0.632 579 G HN 0.591 nan 8.290 nan 0.000 0.511 580 K N 0.956 121.254 120.400 -0.170 0.000 2.379 580 K HA 0.231 4.552 4.320 0.001 0.000 0.284 580 K C 0.330 176.853 176.600 -0.128 0.000 1.044 580 K CA -0.167 56.008 56.287 -0.187 0.000 0.974 580 K CB 1.188 33.513 32.500 -0.292 0.000 0.962 580 K HN 0.240 nan 8.250 nan 0.000 0.474 581 Q N 2.984 122.723 119.800 -0.100 0.000 3.122 581 Q HA 0.039 4.379 4.340 0.001 0.000 0.360 581 Q C -1.083 174.875 176.000 -0.070 0.000 1.300 581 Q CA 0.270 56.029 55.803 -0.073 0.000 0.982 581 Q CB -0.187 28.519 28.738 -0.054 0.000 1.534 581 Q HN 0.444 nan 8.270 nan 0.000 0.474 582 D N 0.414 120.760 120.400 -0.090 0.000 2.890 582 D HA 0.064 4.705 4.640 0.001 0.000 0.233 582 D C 0.519 176.753 176.300 -0.110 0.000 1.306 582 D CA -0.223 53.720 54.000 -0.094 0.000 0.929 582 D CB 1.311 42.039 40.800 -0.120 0.000 1.512 582 D HN 0.038 nan 8.370 nan 0.000 0.568 583 E N 2.558 122.714 120.200 -0.073 0.000 2.095 583 E HA -0.253 4.097 4.350 0.001 0.000 0.212 583 E C 1.193 177.714 176.600 -0.132 0.000 1.044 583 E CA 1.454 57.819 56.400 -0.058 0.000 0.857 583 E CB 0.148 29.870 29.700 0.037 0.000 0.764 583 E HN 0.543 nan 8.360 nan 0.000 0.462 584 N N 0.579 119.100 118.700 -0.298 0.000 2.007 584 N HA -0.176 4.565 4.740 0.001 0.000 0.197 584 N C 2.190 177.536 175.510 -0.273 0.000 1.050 584 N CA 1.068 53.827 53.050 -0.485 0.000 0.856 584 N CB -0.732 37.027 38.487 -1.214 0.000 1.050 584 N HN 0.182 nan 8.380 nan 0.000 0.423 585 L N 0.936 122.009 121.223 -0.250 0.000 2.187 585 L HA -0.146 4.194 4.340 0.001 0.000 0.213 585 L C 2.287 179.105 176.870 -0.088 0.000 1.100 585 L CA 1.073 55.843 54.840 -0.116 0.000 0.765 585 L CB -0.256 41.712 42.059 -0.151 0.000 0.904 585 L HN 0.189 nan 8.230 nan 0.000 0.437 586 K N -0.142 120.201 120.400 -0.095 0.000 2.062 586 K HA -0.090 4.231 4.320 0.001 0.000 0.205 586 K C 2.079 178.662 176.600 -0.027 0.000 1.051 586 K CA 0.845 57.095 56.287 -0.062 0.000 0.941 586 K CB 0.113 32.577 32.500 -0.060 0.000 0.719 586 K HN 0.129 nan 8.250 nan 0.000 0.440 587 I N 1.241 121.798 120.570 -0.023 0.000 2.179 587 I HA -0.205 3.965 4.170 0.001 0.000 0.242 587 I C 2.471 178.611 176.117 0.037 0.000 1.088 587 I CA 1.263 62.571 61.300 0.013 0.000 1.357 587 I CB -1.577 36.438 38.000 0.024 0.000 1.051 587 I HN 0.078 nan 8.210 nan 0.000 0.409 588 A N 1.190 124.039 122.820 0.048 0.000 1.892 588 A HA -0.228 4.092 4.320 0.001 0.000 0.218 588 A C 2.491 180.110 177.584 0.059 0.000 1.188 588 A CA 1.698 53.783 52.037 0.080 0.000 0.631 588 A CB -1.063 18.010 19.000 0.122 0.000 0.822 588 A HN 0.444 nan 8.150 nan 0.000 0.447 589 L N -0.631 120.609 121.223 0.029 0.000 1.990 589 L HA -0.206 4.135 4.340 0.001 0.000 0.213 589 L C 2.594 179.490 176.870 0.044 0.000 1.072 589 L CA 1.870 56.721 54.840 0.018 0.000 0.755 589 L CB -0.740 41.312 42.059 -0.011 0.000 0.889 589 L HN 0.454 nan 8.230 nan 0.000 0.432 590 G N -0.848 107.980 108.800 0.047 0.000 2.442 590 G HA2 -0.255 3.706 3.960 0.001 0.000 0.219 590 G HA3 -0.255 3.706 3.960 0.001 0.000 0.219 590 G C 1.577 176.527 174.900 0.083 0.000 1.141 590 G CA 0.359 45.499 45.100 0.067 0.000 0.763 590 G HN 0.233 nan 8.290 nan 0.000 0.554 591 R N 0.129 120.674 120.500 0.076 0.000 2.066 591 R HA 0.024 4.365 4.340 0.001 0.000 0.232 591 R C 2.763 179.119 176.300 0.093 0.000 1.131 591 R CA 0.807 56.957 56.100 0.083 0.000 0.955 591 R CB -1.300 29.047 30.300 0.079 0.000 0.851 591 R HN 0.346 nan 8.270 nan 0.000 0.432 592 V N 0.856 120.819 119.914 0.081 0.000 2.295 592 V HA -0.242 3.878 4.120 0.001 0.000 0.246 592 V C 2.572 178.707 176.094 0.067 0.000 1.049 592 V CA 2.190 64.521 62.300 0.052 0.000 1.024 592 V CB -0.699 31.105 31.823 -0.032 0.000 0.648 592 V HN 0.388 nan 8.190 nan 0.000 0.447 593 S N -0.405 115.354 115.700 0.098 0.000 2.370 593 S HA -0.287 4.183 4.470 0.001 0.000 0.226 593 S C 2.224 176.973 174.600 0.247 0.000 1.033 593 S CA 2.019 60.324 58.200 0.176 0.000 1.011 593 S CB -0.404 62.921 63.200 0.209 0.000 0.852 593 S HN 0.539 nan 8.310 nan 0.000 0.457 594 R N -0.290 120.320 120.500 0.183 0.000 2.120 594 R HA -0.058 4.283 4.340 0.001 0.000 0.234 594 R C 2.268 178.669 176.300 0.170 0.000 1.123 594 R CA 1.461 57.667 56.100 0.176 0.000 0.975 594 R CB -0.389 29.988 30.300 0.129 0.000 0.866 594 R HN 0.462 nan 8.270 nan 0.000 0.446 595 L N -0.308 120.997 121.223 0.137 0.000 2.027 595 L HA -0.156 4.184 4.340 0.001 0.000 0.206 595 L C 1.781 178.724 176.870 0.121 0.000 1.074 595 L CA 1.671 56.572 54.840 0.102 0.000 0.745 595 L CB -0.833 41.267 42.059 0.069 0.000 0.898 595 L HN 0.150 nan 8.230 nan 0.000 0.433 596 Y N -0.721 119.577 120.300 -0.003 0.000 2.348 596 Y HA -0.242 4.309 4.550 0.001 0.000 0.285 596 Y C 2.400 178.377 175.900 0.128 0.000 1.173 596 Y CA 1.446 59.497 58.100 -0.081 0.000 1.263 596 Y CB -0.479 37.674 38.460 -0.510 0.000 0.974 596 Y HN 0.053 nan 8.280 nan 0.000 0.547 597 V N -0.747 119.414 119.914 0.411 0.000 2.407 597 V HA -0.299 3.822 4.120 0.001 0.000 0.245 597 V C 2.233 178.460 176.094 0.222 0.000 1.041 597 V CA 1.695 64.203 62.300 0.347 0.000 1.040 597 V CB -0.424 31.554 31.823 0.258 0.000 0.671 597 V HN 0.293 nan 8.190 nan 0.000 0.455 598 M N 0.511 120.212 119.600 0.168 0.000 2.200 598 M HA -0.055 4.425 4.480 0.001 0.000 0.265 598 M C 2.334 178.699 176.300 0.108 0.000 1.066 598 M CA 1.780 57.149 55.300 0.115 0.000 1.127 598 M CB -1.364 31.286 32.600 0.084 0.000 1.379 598 M HN 0.477 nan 8.290 nan 0.000 0.420 599 V N -2.666 117.313 119.914 0.108 0.000 3.052 599 V HA 0.105 4.226 4.120 0.001 0.000 0.254 599 V C 0.136 176.306 176.094 0.126 0.000 1.100 599 V CA 0.917 63.267 62.300 0.084 0.000 1.112 599 V CB -0.233 31.595 31.823 0.008 0.000 0.738 599 V HN 0.206 nan 8.190 nan 0.000 0.469 600 D N 0.405 120.935 120.400 0.217 0.000 2.408 600 D HA 0.239 4.880 4.640 0.001 0.000 0.261 600 D C 1.133 177.576 176.300 0.239 0.000 1.190 600 D CA -0.290 53.869 54.000 0.265 0.000 0.910 600 D CB 1.276 42.352 40.800 0.461 0.000 1.097 600 D HN 0.109 nan 8.370 nan 0.000 0.522 601 E N 1.012 121.309 120.200 0.161 0.000 2.147 601 E HA -0.217 4.133 4.350 0.001 0.000 0.199 601 E C 1.438 178.110 176.600 0.119 0.000 1.005 601 E CA 0.748 57.222 56.400 0.123 0.000 0.810 601 E CB 0.117 29.871 29.700 0.090 0.000 0.736 601 E HN 0.451 nan 8.360 nan 0.000 0.460 602 S N -0.114 115.664 115.700 0.131 0.000 2.398 602 S HA -0.239 4.232 4.470 0.001 0.000 0.220 602 S C 2.006 176.669 174.600 0.105 0.000 1.038 602 S CA 1.584 59.848 58.200 0.106 0.000 1.080 602 S CB -0.644 62.624 63.200 0.113 0.000 1.039 602 S HN 0.406 nan 8.310 nan 0.000 0.419 603 Y N 2.162 122.461 120.300 -0.002 0.000 2.241 603 Y HA -0.146 4.404 4.550 0.001 0.000 0.286 603 Y C 2.392 178.292 175.900 -0.001 0.000 1.166 603 Y CA 1.387 59.443 58.100 -0.075 0.000 1.203 603 Y CB -0.883 37.431 38.460 -0.244 0.000 0.977 603 Y HN 0.355 nan 8.280 nan 0.000 0.529 604 A N 0.131 123.047 122.820 0.160 0.000 1.940 604 A HA -0.244 4.076 4.320 0.001 0.000 0.219 604 A C 2.046 179.633 177.584 0.005 0.000 1.176 604 A CA 2.111 54.207 52.037 0.098 0.000 0.631 604 A CB -0.609 18.468 19.000 0.128 0.000 0.814 604 A HN 0.680 nan 8.150 nan 0.000 0.446 605 E N -0.379 119.819 120.200 -0.003 0.000 2.158 605 E HA -0.121 4.229 4.350 0.001 0.000 0.191 605 E C 1.865 178.437 176.600 -0.048 0.000 0.982 605 E CA 0.893 57.289 56.400 -0.007 0.000 0.823 605 E CB -0.177 29.529 29.700 0.009 0.000 0.766 605 E HN 0.757 nan 8.360 nan 0.000 0.468 606 E N 0.611 120.734 120.200 -0.128 0.000 2.118 606 E HA -0.181 4.169 4.350 0.001 0.000 0.195 606 E C 1.848 178.325 176.600 -0.206 0.000 0.992 606 E CA 1.010 57.295 56.400 -0.193 0.000 0.804 606 E CB -0.024 29.477 29.700 -0.332 0.000 0.741 606 E HN 0.231 nan 8.360 nan 0.000 0.458 607 M N 0.095 119.542 119.600 -0.255 0.000 2.476 607 M HA 0.045 4.526 4.480 0.001 0.000 0.262 607 M C 2.276 178.594 176.300 0.030 0.000 1.111 607 M CA 0.751 55.968 55.300 -0.138 0.000 1.127 607 M CB -0.531 31.977 32.600 -0.153 0.000 1.376 607 M HN -0.021 nan 8.290 nan 0.000 0.465 608 S N 0.658 116.385 115.700 0.045 0.000 2.406 608 S HA -0.047 4.424 4.470 0.001 0.000 0.228 608 S C 1.917 176.640 174.600 0.205 0.000 1.020 608 S CA 1.072 59.361 58.200 0.148 0.000 0.965 608 S CB 0.176 63.436 63.200 0.100 0.000 0.798 608 S HN 0.440 nan 8.310 nan 0.000 0.488 609 K N 0.731 121.200 120.400 0.115 0.000 2.044 609 K HA 0.160 4.480 4.320 0.001 0.000 0.204 609 K C 1.716 178.378 176.600 0.103 0.000 1.049 609 K CA 0.907 57.259 56.287 0.109 0.000 0.945 609 K CB -0.317 32.213 32.500 0.049 0.000 0.724 609 K HN 0.332 nan 8.250 nan 0.000 0.440 610 L N 1.435 122.697 121.223 0.065 0.000 2.642 610 L HA -0.107 4.234 4.340 0.001 0.000 0.236 610 L C 1.960 178.889 176.870 0.099 0.000 1.169 610 L CA 0.071 54.940 54.840 0.048 0.000 0.851 610 L CB -0.534 41.531 42.059 0.009 0.000 0.968 610 L HN 0.125 nan 8.230 nan 0.000 0.453 611 F N 2.177 122.110 119.950 -0.029 0.000 2.095 611 F HA -0.288 4.239 4.527 0.001 0.000 0.298 611 F C 2.494 178.254 175.800 -0.066 0.000 1.104 611 F CA 1.949 59.899 58.000 -0.083 0.000 1.232 611 F CB -0.294 38.516 39.000 -0.318 0.000 0.987 611 F HN 0.130 nan 8.300 nan 0.000 0.475 612 K N -0.651 119.573 120.400 -0.293 0.000 2.189 612 K HA -0.236 4.084 4.320 0.001 0.000 0.207 612 K C 0.681 177.119 176.600 -0.270 0.000 1.046 612 K CA 2.032 58.101 56.287 -0.364 0.000 0.928 612 K CB -0.843 31.572 32.500 -0.140 0.000 0.720 612 K HN 0.262 nan 8.250 nan 0.000 0.458 613 D N 0.063 120.375 120.400 -0.147 0.000 2.370 613 D HA 0.038 4.678 4.640 0.001 0.000 0.230 613 D C 0.883 177.147 176.300 -0.061 0.000 1.143 613 D CA -0.193 53.752 54.000 -0.091 0.000 0.834 613 D CB -0.191 40.576 40.800 -0.055 0.000 0.944 613 D HN 0.113 nan 8.370 nan 0.000 0.504 614 F N 2.533 122.318 119.950 -0.276 0.000 2.043 614 F HA -0.269 4.259 4.527 0.001 0.000 0.297 614 F C 1.687 177.405 175.800 -0.137 0.000 1.118 614 F CA 1.701 59.580 58.000 -0.202 0.000 1.202 614 F CB 0.000 38.805 39.000 -0.325 0.000 0.965 614 F HN -0.060 nan 8.300 nan 0.000 0.482 615 D N -0.631 119.709 120.400 -0.100 0.000 2.172 615 D HA -0.178 4.462 4.640 0.001 0.000 0.196 615 D C 2.135 178.328 176.300 -0.179 0.000 0.999 615 D CA 1.887 55.794 54.000 -0.155 0.000 0.856 615 D CB -0.479 40.276 40.800 -0.074 0.000 0.934 615 D HN 0.311 nan 8.370 nan 0.000 0.453 616 S N -0.148 115.466 115.700 -0.144 0.000 2.556 616 S HA 0.292 4.762 4.470 0.001 0.000 0.216 616 S C 0.827 175.351 174.600 -0.128 0.000 0.970 616 S CA -0.322 57.806 58.200 -0.120 0.000 0.912 616 S CB 0.603 63.751 63.200 -0.087 0.000 0.790 616 S HN 0.334 nan 8.310 nan 0.000 0.504 617 A N 1.783 124.504 122.820 -0.166 0.000 2.287 617 A HA 0.415 4.735 4.320 0.001 0.000 0.273 617 A C 0.275 177.756 177.584 -0.171 0.000 1.091 617 A CA -0.486 51.464 52.037 -0.144 0.000 0.817 617 A CB 0.340 19.265 19.000 -0.124 0.000 1.069 617 A HN 0.341 nan 8.150 nan 0.000 0.492 618 E N 1.423 121.552 120.200 -0.118 0.000 2.390 618 E HA 0.109 4.460 4.350 0.001 0.000 0.261 618 E C -1.459 175.066 176.600 -0.124 0.000 1.076 618 E CA -1.513 54.822 56.400 -0.108 0.000 0.905 618 E CB 0.505 30.163 29.700 -0.070 0.000 0.984 618 E HN 0.473 nan 8.360 nan 0.000 0.427 619 P HA -0.191 nan 4.420 nan 0.000 0.219 619 P C 0.379 177.652 177.300 -0.045 0.000 1.146 619 P CA 1.416 64.456 63.100 -0.099 0.000 0.808 619 P CB 0.320 31.975 31.700 -0.075 0.000 0.779 620 E N -0.376 119.807 120.200 -0.028 0.000 2.072 620 E HA -0.107 4.243 4.350 0.001 0.000 0.191 620 E C 1.962 178.580 176.600 0.031 0.000 0.985 620 E CA 1.226 57.629 56.400 0.005 0.000 0.801 620 E CB -0.817 28.883 29.700 0.000 0.000 0.750 620 E HN 0.133 nan 8.360 nan 0.000 0.452 621 M N 0.376 119.988 119.600 0.020 0.000 2.562 621 M HA 0.042 4.522 4.480 0.001 0.000 0.257 621 M C 1.511 177.869 176.300 0.096 0.000 1.099 621 M CA 0.741 56.076 55.300 0.058 0.000 1.099 621 M CB 0.135 32.758 32.600 0.037 0.000 1.427 621 M HN -0.067 nan 8.290 nan 0.000 0.489 622 R N -0.928 119.606 120.500 0.057 0.000 2.097 622 R HA -0.140 4.200 4.340 0.001 0.000 0.236 622 R C 2.384 178.876 176.300 0.321 0.000 1.135 622 R CA 1.824 58.027 56.100 0.172 0.000 0.934 622 R CB -1.621 28.662 30.300 -0.027 0.000 0.846 622 R HN 0.396 nan 8.270 nan 0.000 0.431 623 S N 0.456 116.273 115.700 0.195 0.000 2.387 623 S HA -0.169 4.301 4.470 0.001 0.000 0.230 623 S C 2.170 176.867 174.600 0.162 0.000 1.035 623 S CA 1.872 60.171 58.200 0.165 0.000 1.014 623 S CB -0.207 63.062 63.200 0.116 0.000 0.836 623 S HN 0.348 nan 8.310 nan 0.000 0.466 624 S N 0.412 116.211 115.700 0.166 0.000 2.383 624 S HA -0.022 4.449 4.470 0.001 0.000 0.227 624 S C 1.745 176.441 174.600 0.160 0.000 1.026 624 S CA 1.090 59.391 58.200 0.168 0.000 0.981 624 S CB -0.351 62.961 63.200 0.188 0.000 0.818 624 S HN 0.457 nan 8.310 nan 0.000 0.472 625 I N 1.923 122.615 120.570 0.204 0.000 2.072 625 I HA -0.151 4.019 4.170 0.001 0.000 0.235 625 I C 2.849 179.060 176.117 0.156 0.000 1.058 625 I CA 1.594 63.034 61.300 0.232 0.000 1.320 625 I CB -1.933 36.327 38.000 0.433 0.000 1.047 625 I HN 0.289 nan 8.210 nan 0.000 0.397 626 A N 0.429 123.328 122.820 0.132 0.000 1.927 626 A HA -0.267 4.053 4.320 0.001 0.000 0.220 626 A C 2.425 180.021 177.584 0.019 0.000 1.185 626 A CA 2.900 54.931 52.037 -0.010 0.000 0.639 626 A CB -1.253 17.740 19.000 -0.013 0.000 0.820 626 A HN 0.517 nan 8.150 nan 0.000 0.451 627 T N -0.150 114.440 114.554 0.061 0.000 2.770 627 T HA 0.088 4.438 4.350 0.001 0.000 0.263 627 T C 2.274 177.004 174.700 0.049 0.000 1.039 627 T CA 1.531 63.665 62.100 0.057 0.000 1.142 627 T CB -0.470 68.447 68.868 0.081 0.000 0.868 627 T HN 0.628 nan 8.240 nan 0.000 0.435 628 A N 0.769 123.631 122.820 0.071 0.000 1.877 628 A HA -0.093 4.227 4.320 0.001 0.000 0.216 628 A C 2.110 179.709 177.584 0.024 0.000 1.186 628 A CA 1.570 53.642 52.037 0.058 0.000 0.620 628 A CB -1.135 17.904 19.000 0.065 0.000 0.822 628 A HN 0.541 nan 8.150 nan 0.000 0.443 629 Y N 0.915 121.139 120.300 -0.125 0.000 2.114 629 Y HA -0.175 4.375 4.550 0.001 0.000 0.282 629 Y C 2.437 178.223 175.900 -0.190 0.000 1.165 629 Y CA 1.228 59.186 58.100 -0.236 0.000 1.148 629 Y CB -0.653 37.462 38.460 -0.576 0.000 0.972 629 Y HN 0.284 nan 8.280 nan 0.000 0.504 630 A N -0.938 121.733 122.820 -0.249 0.000 2.248 630 A HA 0.057 4.377 4.320 0.001 0.000 0.210 630 A C 1.770 179.254 177.584 -0.167 0.000 1.174 630 A CA 1.314 53.207 52.037 -0.240 0.000 0.750 630 A CB -0.674 18.291 19.000 -0.059 0.000 0.780 630 A HN 0.581 nan 8.150 nan 0.000 0.478 631 L N -2.871 118.267 121.223 -0.143 0.000 2.862 631 L HA 0.073 4.413 4.340 0.001 0.000 0.169 631 L C 2.187 179.005 176.870 -0.087 0.000 1.164 631 L CA 0.218 55.011 54.840 -0.078 0.000 0.858 631 L CB -0.496 41.554 42.059 -0.015 0.000 1.329 631 L HN 0.045 nan 8.230 nan 0.000 0.514 632 V N 0.582 120.457 119.914 -0.065 0.000 2.317 632 V HA -0.317 3.803 4.120 0.001 0.000 0.251 632 V C 2.480 178.528 176.094 -0.077 0.000 1.065 632 V CA 2.758 65.032 62.300 -0.044 0.000 1.049 632 V CB -1.051 30.766 31.823 -0.010 0.000 0.651 632 V HN 0.786 nan 8.190 nan 0.000 0.450 633 T N -4.127 110.328 114.554 -0.165 0.000 3.138 633 T HA 0.503 4.853 4.350 0.001 0.000 0.245 633 T C 1.046 175.592 174.700 -0.255 0.000 0.982 633 T CA 0.912 62.901 62.100 -0.186 0.000 1.134 633 T CB 0.826 69.579 68.868 -0.192 0.000 1.032 633 T HN 1.550 nan 8.240 nan 0.000 0.442 634 G N 0.713 109.250 108.800 -0.437 0.000 2.705 634 G HA2 0.258 4.218 3.960 0.001 0.000 0.686 634 G HA3 0.258 4.218 3.960 0.001 0.000 0.686 634 G C -1.018 173.640 174.900 -0.402 0.000 1.285 634 G CA -0.123 44.756 45.100 -0.368 0.000 0.800 634 G HN 0.838 nan 8.290 nan 0.000 0.611 635 D N 0.341 120.564 120.400 -0.295 0.000 3.018 635 D HA 0.103 4.743 4.640 0.001 0.000 0.188 635 D C 1.162 177.408 176.300 -0.091 0.000 1.300 635 D CA -0.040 53.862 54.000 -0.163 0.000 1.411 635 D CB -0.358 40.371 40.800 -0.118 0.000 1.234 635 D HN 0.766 nan 8.370 nan 0.000 0.695 636 L N 3.348 124.511 121.223 -0.101 0.000 1.991 636 L HA -0.183 4.157 4.340 0.001 0.000 0.221 636 L C 2.323 179.129 176.870 -0.106 0.000 1.079 636 L CA 2.831 57.596 54.840 -0.125 0.000 0.778 636 L CB -0.291 41.688 42.059 -0.133 0.000 0.893 636 L HN 0.507 nan 8.230 nan 0.000 0.437 637 K N -1.862 118.504 120.400 -0.056 0.000 2.366 637 K HA 0.067 4.387 4.320 0.001 0.000 0.198 637 K C 1.898 178.530 176.600 0.053 0.000 1.044 637 K CA 0.969 57.245 56.287 -0.018 0.000 0.973 637 K CB -0.732 31.763 32.500 -0.008 0.000 0.767 637 K HN 0.347 nan 8.250 nan 0.000 0.475 638 G N 2.545 111.394 108.800 0.083 0.000 2.453 638 G HA2 -0.206 3.754 3.960 0.001 0.000 0.215 638 G HA3 -0.206 3.754 3.960 0.001 0.000 0.215 638 G C 1.542 176.571 174.900 0.215 0.000 1.201 638 G CA 1.010 46.215 45.100 0.175 0.000 0.784 638 G HN 0.183 nan 8.290 nan 0.000 0.545 639 L N -0.226 121.133 121.223 0.226 0.000 2.043 639 L HA -0.102 4.239 4.340 0.001 0.000 0.212 639 L C 2.818 179.912 176.870 0.373 0.000 1.075 639 L CA 0.426 55.441 54.840 0.293 0.000 0.752 639 L CB -0.681 41.624 42.059 0.410 0.000 0.891 639 L HN 0.097 nan 8.230 nan 0.000 0.432 640 L N -0.107 121.270 121.223 0.257 0.000 2.043 640 L HA -0.228 4.112 4.340 0.001 0.000 0.212 640 L C 2.614 179.658 176.870 0.291 0.000 1.075 640 L CA 1.744 56.729 54.840 0.242 0.000 0.752 640 L CB -0.734 41.332 42.059 0.012 0.000 0.891 640 L HN 0.265 nan 8.230 nan 0.000 0.432 641 E N -0.708 119.606 120.200 0.191 0.000 2.031 641 E HA -0.283 4.067 4.350 0.001 0.000 0.193 641 E C 2.124 178.813 176.600 0.149 0.000 0.994 641 E CA 1.379 57.867 56.400 0.146 0.000 0.800 641 E CB -0.163 29.605 29.700 0.114 0.000 0.752 641 E HN 0.365 nan 8.360 nan 0.000 0.447 642 K N 0.367 120.874 120.400 0.178 0.000 2.365 642 K HA -0.110 4.210 4.320 0.001 0.000 0.199 642 K C 1.798 178.492 176.600 0.157 0.000 1.045 642 K CA 0.292 56.663 56.287 0.140 0.000 0.962 642 K CB -0.059 32.526 32.500 0.141 0.000 0.759 642 K HN 0.033 nan 8.250 nan 0.000 0.469 643 F N 1.288 121.298 119.950 0.100 0.000 2.293 643 F HA -0.060 4.467 4.527 0.001 0.000 0.300 643 F C 1.914 177.760 175.800 0.078 0.000 1.086 643 F CA 1.233 59.297 58.000 0.105 0.000 1.375 643 F CB 0.106 39.253 39.000 0.245 0.000 1.045 643 F HN -0.085 nan 8.300 nan 0.000 0.516 644 R N -0.343 120.075 120.500 -0.136 0.000 2.404 644 R HA 0.135 4.476 4.340 0.001 0.000 0.237 644 R C 0.871 177.104 176.300 -0.112 0.000 0.907 644 R CA 0.738 56.697 56.100 -0.235 0.000 1.063 644 R CB 0.026 30.272 30.300 -0.091 0.000 1.134 644 R HN 0.260 nan 8.270 nan 0.000 0.529 645 S N -0.128 115.548 115.700 -0.040 0.000 2.526 645 S HA 0.253 4.723 4.470 0.001 0.000 0.247 645 S C -0.358 174.239 174.600 -0.005 0.000 1.076 645 S CA -0.518 57.673 58.200 -0.015 0.000 1.105 645 S CB 0.834 64.042 63.200 0.014 0.000 0.793 645 S HN 0.016 nan 8.310 nan 0.000 0.458 646 V N 1.960 121.857 119.914 -0.028 0.000 2.775 646 V HA 0.361 4.481 4.120 0.001 0.000 0.295 646 V C -1.386 174.687 176.094 -0.036 0.000 1.226 646 V CA -0.772 61.528 62.300 0.001 0.000 0.934 646 V CB 1.803 33.677 31.823 0.086 0.000 1.056 646 V HN 0.622 nan 8.190 nan 0.000 0.436 647 D N 6.130 126.510 120.400 -0.033 0.000 2.356 647 D HA 0.406 5.046 4.640 0.001 0.000 0.258 647 D C 0.352 176.631 176.300 -0.035 0.000 1.279 647 D CA 0.205 54.179 54.000 -0.043 0.000 1.016 647 D CB 0.218 40.994 40.800 -0.039 0.000 1.107 647 D HN 1.023 nan 8.370 nan 0.000 0.544 648 R N -1.737 118.742 120.500 -0.036 0.000 1.052 648 R HA -0.232 4.108 4.340 0.001 0.000 0.427 648 R C -0.270 176.019 176.300 -0.019 0.000 1.365 648 R CA 0.839 56.922 56.100 -0.028 0.000 1.346 648 R CB -0.541 29.742 30.300 -0.028 0.000 3.713 648 R HN 0.788 nan 8.270 nan 0.000 0.503 649 D N 1.624 122.017 120.400 -0.011 0.000 2.213 649 D HA -0.068 4.572 4.640 0.001 0.000 0.205 649 D C 1.450 177.762 176.300 0.021 0.000 0.961 649 D CA 1.611 55.614 54.000 0.005 0.000 0.853 649 D CB 0.135 40.940 40.800 0.008 0.000 0.967 649 D HN 0.521 nan 8.370 nan 0.000 0.496 650 E N -0.021 120.186 120.200 0.012 0.000 2.045 650 E HA -0.281 4.070 4.350 0.001 0.000 0.212 650 E C 1.027 177.655 176.600 0.046 0.000 1.039 650 E CA 2.078 58.489 56.400 0.019 0.000 0.860 650 E CB -0.123 29.575 29.700 -0.003 0.000 0.776 650 E HN 0.307 nan 8.360 nan 0.000 0.467 651 D N -0.815 119.619 120.400 0.056 0.000 2.348 651 D HA -0.073 4.567 4.640 0.001 0.000 0.216 651 D C 1.724 178.105 176.300 0.135 0.000 0.970 651 D CA 0.250 54.333 54.000 0.137 0.000 0.889 651 D CB -0.027 40.880 40.800 0.179 0.000 0.912 651 D HN 0.102 nan 8.370 nan 0.000 0.524 652 R N 0.470 121.016 120.500 0.078 0.000 2.062 652 R HA -0.107 4.234 4.340 0.001 0.000 0.231 652 R C 1.753 178.128 176.300 0.125 0.000 1.136 652 R CA 1.113 57.261 56.100 0.081 0.000 0.948 652 R CB -0.378 29.945 30.300 0.037 0.000 0.845 652 R HN 0.082 nan 8.270 nan 0.000 0.430 653 V N 1.479 121.440 119.914 0.079 0.000 2.343 653 V HA -0.240 3.881 4.120 0.001 0.000 0.247 653 V C 2.484 178.579 176.094 0.003 0.000 1.051 653 V CA 1.952 64.279 62.300 0.046 0.000 1.036 653 V CB -0.600 31.250 31.823 0.046 0.000 0.654 653 V HN 0.404 nan 8.190 nan 0.000 0.451 654 R N -0.088 120.436 120.500 0.040 0.000 2.113 654 R HA -0.203 4.138 4.340 0.001 0.000 0.244 654 R C 2.208 178.463 176.300 -0.075 0.000 1.142 654 R CA 1.852 57.974 56.100 0.037 0.000 0.953 654 R CB -0.570 29.815 30.300 0.142 0.000 0.860 654 R HN 0.365 nan 8.270 nan 0.000 0.438 655 I N 1.053 121.554 120.570 -0.115 0.000 2.142 655 I HA -0.253 3.918 4.170 0.001 0.000 0.240 655 I C 2.470 177.971 176.117 -1.027 0.000 1.078 655 I CA 1.461 62.525 61.300 -0.395 0.000 1.343 655 I CB -1.072 36.846 38.000 -0.137 0.000 1.046 655 I HN 0.175 nan 8.210 nan 0.000 0.405 656 I N 0.264 120.366 120.570 -0.779 0.000 2.315 656 I HA -0.330 3.840 4.170 0.001 0.000 0.251 656 I C 2.748 178.642 176.117 -0.373 0.000 1.125 656 I CA 1.519 62.354 61.300 -0.775 0.000 1.392 656 I CB -0.351 37.516 38.000 -0.222 0.000 1.065 656 I HN 0.227 nan 8.210 nan 0.000 0.424 657 S N 0.257 115.833 115.700 -0.206 0.000 2.395 657 S HA -0.015 4.455 4.470 0.001 0.000 0.225 657 S C 2.171 176.772 174.600 0.003 0.000 1.027 657 S CA 1.016 59.205 58.200 -0.018 0.000 0.965 657 S CB -0.100 63.104 63.200 0.005 0.000 0.812 657 S HN 0.471 nan 8.310 nan 0.000 0.482 658 A N 0.511 123.260 122.820 -0.119 0.000 2.125 658 A HA 0.044 4.364 4.320 0.001 0.000 0.219 658 A C 1.601 179.254 177.584 0.114 0.000 1.156 658 A CA 1.020 53.037 52.037 -0.034 0.000 0.671 658 A CB -0.805 18.142 19.000 -0.088 0.000 0.794 658 A HN 0.581 nan 8.150 nan 0.000 0.459 659 F N 0.153 120.141 119.950 0.063 0.000 2.293 659 F HA 0.019 4.546 4.527 0.001 0.000 0.300 659 F C 2.408 178.434 175.800 0.377 0.000 1.086 659 F CA 0.321 58.369 58.000 0.079 0.000 1.375 659 F CB -1.218 37.649 39.000 -0.222 0.000 1.045 659 F HN 0.284 nan 8.300 nan 0.000 0.516 660 G N -0.874 108.264 108.800 0.563 0.000 2.848 660 G HA2 -0.119 3.842 3.960 0.001 0.000 0.208 660 G HA3 -0.119 3.842 3.960 0.001 0.000 0.208 660 G C 1.332 176.319 174.900 0.145 0.000 1.152 660 G CA 0.198 45.458 45.100 0.267 0.000 0.789 660 G HN 0.114 nan 8.290 nan 0.000 0.531 661 K N -0.081 120.410 120.400 0.151 0.000 2.455 661 K HA 0.393 4.714 4.320 0.001 0.000 0.206 661 K C 0.069 176.699 176.600 0.051 0.000 1.027 661 K CA -0.174 56.161 56.287 0.081 0.000 1.113 661 K CB 0.478 33.015 32.500 0.062 0.000 0.850 661 K HN 0.164 nan 8.250 nan 0.000 0.503 662 L N 2.250 123.512 121.223 0.066 0.000 2.257 662 L HA 0.306 4.647 4.340 0.001 0.000 0.290 662 L C -0.562 176.290 176.870 -0.031 0.000 1.044 662 L CA -0.834 54.007 54.840 0.000 0.000 0.810 662 L CB 0.829 42.882 42.059 -0.010 0.000 1.193 662 L HN -0.004 nan 8.230 nan 0.000 0.425 663 K N 1.734 122.113 120.400 -0.035 0.000 2.419 663 K HA 0.610 4.931 4.320 0.001 0.000 0.244 663 K C -0.596 175.982 176.600 -0.036 0.000 1.045 663 K CA -0.505 55.769 56.287 -0.022 0.000 1.004 663 K CB 1.578 34.094 32.500 0.027 0.000 1.376 663 K HN 0.274 nan 8.250 nan 0.000 0.460 664 S N 1.681 117.318 115.700 -0.104 0.000 2.602 664 S HA 0.159 4.629 4.470 0.001 0.000 0.301 664 S C -0.287 174.217 174.600 -0.160 0.000 1.091 664 S CA -0.784 57.375 58.200 -0.069 0.000 0.895 664 S CB 0.662 63.823 63.200 -0.065 0.000 1.090 664 S HN 0.601 nan 8.310 nan 0.000 0.449 665 N N 2.487 121.213 118.700 0.044 0.000 2.364 665 N HA -0.106 4.634 4.740 0.001 0.000 0.183 665 N C 1.593 177.111 175.510 0.014 0.000 1.022 665 N CA 2.510 55.656 53.050 0.161 0.000 0.883 665 N CB 0.069 38.754 38.487 0.329 0.000 0.965 665 N HN 0.733 nan 8.380 nan 0.000 0.438 666 T N -3.872 110.670 114.554 -0.020 0.000 3.054 666 T HA 0.061 4.412 4.350 0.001 0.000 0.259 666 T C 0.385 175.040 174.700 -0.076 0.000 1.092 666 T CA 0.344 62.428 62.100 -0.027 0.000 1.121 666 T CB -0.125 68.734 68.868 -0.014 0.000 0.912 666 T HN -0.021 nan 8.240 nan 0.000 0.489 667 D N 1.649 121.972 120.400 -0.128 0.000 3.008 667 D HA 0.350 4.991 4.640 0.001 0.000 0.242 667 D C 0.816 176.998 176.300 -0.197 0.000 1.222 667 D CA 0.062 53.970 54.000 -0.153 0.000 0.883 667 D CB -0.045 40.665 40.800 -0.151 0.000 1.110 667 D HN 0.549 nan 8.370 nan 0.000 0.455 668 L N -3.639 117.489 121.223 -0.158 0.000 3.712 668 L HA 0.173 4.513 4.340 0.001 0.000 0.357 668 L C 1.562 178.412 176.870 -0.033 0.000 1.071 668 L CA -0.247 54.518 54.840 -0.125 0.000 1.346 668 L CB -0.151 41.796 42.059 -0.188 0.000 1.923 668 L HN -0.254 nan 8.230 nan 0.000 0.621 669 S N 0.253 115.939 115.700 -0.023 0.000 2.584 669 S HA -0.045 4.426 4.470 0.001 0.000 0.240 669 S C 1.443 176.040 174.600 -0.005 0.000 0.975 669 S CA 1.718 59.928 58.200 0.016 0.000 0.949 669 S CB -0.356 62.851 63.200 0.011 0.000 0.761 669 S HN 0.550 nan 8.310 nan 0.000 0.536 670 T N 0.081 114.604 114.554 -0.053 0.000 2.955 670 T HA 0.159 4.510 4.350 0.001 0.000 0.251 670 T C 1.811 176.432 174.700 -0.130 0.000 1.002 670 T CA 0.058 62.105 62.100 -0.088 0.000 0.970 670 T CB 0.189 68.985 68.868 -0.119 0.000 1.091 670 T HN 0.201 nan 8.240 nan 0.000 0.495 671 V N 0.548 120.377 119.914 -0.143 0.000 2.255 671 V HA -0.065 4.055 4.120 0.001 0.000 0.243 671 V C 1.981 178.048 176.094 -0.045 0.000 1.038 671 V CA 1.345 63.528 62.300 -0.195 0.000 1.008 671 V CB -0.655 31.040 31.823 -0.213 0.000 0.645 671 V HN 0.426 nan 8.190 nan 0.000 0.449 672 Y N 2.045 122.304 120.300 -0.069 0.000 2.509 672 Y HA 0.123 4.673 4.550 0.001 0.000 0.293 672 Y C 2.163 178.048 175.900 -0.026 0.000 1.133 672 Y CA 0.779 58.872 58.100 -0.012 0.000 1.283 672 Y CB -0.400 38.086 38.460 0.044 0.000 1.001 672 Y HN 0.224 nan 8.280 nan 0.000 0.555 673 G N -0.784 108.013 108.800 -0.005 0.000 2.985 673 G HA2 -0.072 3.889 3.960 0.001 0.000 0.209 673 G HA3 -0.072 3.889 3.960 0.001 0.000 0.209 673 G C 1.196 176.038 174.900 -0.096 0.000 1.165 673 G CA -0.234 44.832 45.100 -0.056 0.000 0.776 673 G HN 0.342 nan 8.290 nan 0.000 0.541 674 M N 1.117 120.645 119.600 -0.120 0.000 2.793 674 M HA 0.054 4.535 4.480 0.001 0.000 0.215 674 M C 1.362 177.595 176.300 -0.111 0.000 1.087 674 M CA 0.067 55.300 55.300 -0.111 0.000 1.033 674 M CB 0.272 32.795 32.600 -0.128 0.000 1.760 674 M HN 0.085 nan 8.290 nan 0.000 0.514 675 V N -1.000 118.835 119.914 -0.130 0.000 3.354 675 V HA -0.067 4.053 4.120 0.001 0.000 0.258 675 V C 1.603 177.651 176.094 -0.077 0.000 1.159 675 V CA 0.975 63.202 62.300 -0.122 0.000 1.125 675 V CB -0.301 31.422 31.823 -0.165 0.000 0.774 675 V HN 0.501 nan 8.190 nan 0.000 0.464 676 E N 0.759 120.920 120.200 -0.064 0.000 2.057 676 E HA 0.033 4.384 4.350 0.001 0.000 0.190 676 E C 0.554 177.135 176.600 -0.032 0.000 0.969 676 E CA 0.552 56.928 56.400 -0.041 0.000 0.812 676 E CB 0.095 29.774 29.700 -0.034 0.000 0.777 676 E HN 0.442 nan 8.360 nan 0.000 0.455 677 K N 2.424 122.805 120.400 -0.032 0.000 2.354 677 K HA 0.163 4.484 4.320 0.001 0.000 0.257 677 K C -0.944 175.647 176.600 -0.016 0.000 1.062 677 K CA -0.244 56.032 56.287 -0.018 0.000 0.971 677 K CB 1.234 33.727 32.500 -0.012 0.000 1.305 677 K HN 0.064 nan 8.250 nan 0.000 0.449 678 T N 0.781 115.328 114.554 -0.012 0.000 2.640 678 T HA -0.029 4.321 4.350 0.001 0.000 0.252 678 T C 0.533 175.250 174.700 0.027 0.000 1.038 678 T CA 0.090 62.187 62.100 -0.005 0.000 1.307 678 T CB 0.159 69.024 68.868 -0.005 0.000 1.014 678 T HN 0.467 nan 8.240 nan 0.000 0.523 679 E N 1.295 121.519 120.200 0.039 0.000 2.475 679 E HA 0.181 4.532 4.350 0.001 0.000 0.205 679 E C 1.173 177.863 176.600 0.150 0.000 0.822 679 E CA -0.356 56.127 56.400 0.137 0.000 1.240 679 E CB 0.229 30.006 29.700 0.128 0.000 1.222 679 E HN 0.538 nan 8.360 nan 0.000 0.581 680 I N 2.459 123.039 120.570 0.016 0.000 3.173 680 I HA -0.207 3.964 4.170 0.001 0.000 0.323 680 I C 0.645 176.794 176.117 0.052 0.000 1.194 680 I CA 1.084 62.370 61.300 -0.024 0.000 1.464 680 I CB -0.259 37.696 38.000 -0.076 0.000 1.295 680 I HN -0.026 nan 8.210 nan 0.000 0.556 681 K N 6.123 126.554 120.400 0.051 0.000 2.626 681 K HA 0.177 4.497 4.320 0.001 0.000 0.223 681 K C 1.025 177.655 176.600 0.049 0.000 0.992 681 K CA -0.570 55.772 56.287 0.092 0.000 1.024 681 K CB 0.729 33.347 32.500 0.196 0.000 1.225 681 K HN 0.553 nan 8.250 nan 0.000 0.498 682 K N 2.559 122.981 120.400 0.036 0.000 2.148 682 K HA -0.203 4.118 4.320 0.001 0.000 0.204 682 K C 1.371 178.042 176.600 0.118 0.000 1.050 682 K CA 1.061 57.380 56.287 0.055 0.000 0.942 682 K CB 0.077 32.586 32.500 0.015 0.000 0.724 682 K HN 0.485 nan 8.250 nan 0.000 0.446 683 Q N 1.237 121.098 119.800 0.102 0.000 2.234 683 Q HA -0.157 4.184 4.340 0.001 0.000 0.206 683 Q C 0.005 176.089 176.000 0.140 0.000 0.980 683 Q CA 1.510 57.396 55.803 0.138 0.000 0.869 683 Q CB -0.230 28.565 28.738 0.095 0.000 0.912 683 Q HN 0.406 nan 8.270 nan 0.000 0.436 684 D N 0.659 121.119 120.400 0.101 0.000 2.980 684 D HA 0.200 4.840 4.640 0.001 0.000 0.333 684 D C 1.138 177.454 176.300 0.026 0.000 1.356 684 D CA -0.086 53.957 54.000 0.073 0.000 0.847 684 D CB 0.337 41.178 40.800 0.069 0.000 1.122 684 D HN 0.401 nan 8.370 nan 0.000 0.475 685 M N -1.753 117.864 119.600 0.029 0.000 2.134 685 M HA -0.009 4.471 4.480 0.001 0.000 0.262 685 M C 1.597 177.699 176.300 -0.331 0.000 1.076 685 M CA 0.848 56.074 55.300 -0.123 0.000 1.143 685 M CB -0.194 32.427 32.600 0.034 0.000 1.346 685 M HN -0.149 nan 8.290 nan 0.000 0.421 686 I N 1.772 122.302 120.570 -0.068 0.000 2.236 686 I HA -0.252 3.918 4.170 0.001 0.000 0.249 686 I C 2.437 178.547 176.117 -0.012 0.000 1.102 686 I CA 1.452 62.773 61.300 0.035 0.000 1.365 686 I CB -1.732 36.337 38.000 0.113 0.000 1.051 686 I HN 0.413 nan 8.210 nan 0.000 0.420 687 S N 0.575 116.269 115.700 -0.011 0.000 2.419 687 S HA -0.194 4.276 4.470 0.001 0.000 0.235 687 S C 1.793 176.425 174.600 0.055 0.000 1.019 687 S CA 1.155 59.372 58.200 0.028 0.000 0.982 687 S CB -0.451 62.766 63.200 0.028 0.000 0.789 687 S HN 0.473 nan 8.310 nan 0.000 0.490 688 F N 1.081 120.898 119.950 -0.222 0.000 2.335 688 F HA 0.229 4.756 4.527 0.001 0.000 0.296 688 F C 1.443 177.234 175.800 -0.015 0.000 1.091 688 F CA 0.313 58.205 58.000 -0.180 0.000 1.399 688 F CB -0.469 38.345 39.000 -0.310 0.000 1.067 688 F HN 0.201 nan 8.300 nan 0.000 0.520 689 F N -0.709 119.214 119.950 -0.044 0.000 2.234 689 F HA -0.109 4.419 4.527 0.001 0.000 0.296 689 F C 2.497 178.255 175.800 -0.069 0.000 1.089 689 F CA 0.749 58.668 58.000 -0.135 0.000 1.343 689 F CB -0.644 38.361 39.000 0.009 0.000 1.040 689 F HN -0.172 nan 8.300 nan 0.000 0.498 690 S N 0.021 115.814 115.700 0.156 0.000 2.371 690 S HA -0.165 4.305 4.470 0.001 0.000 0.224 690 S C 2.184 176.829 174.600 0.075 0.000 1.029 690 S CA 1.446 59.716 58.200 0.116 0.000 0.978 690 S CB -0.458 62.805 63.200 0.105 0.000 0.833 690 S HN 0.435 nan 8.310 nan 0.000 0.466 691 S N 2.172 117.903 115.700 0.052 0.000 2.453 691 S HA 0.155 4.625 4.470 0.001 0.000 0.231 691 S C 1.920 176.530 174.600 0.018 0.000 1.005 691 S CA 0.674 58.904 58.200 0.049 0.000 0.949 691 S CB -0.461 62.783 63.200 0.075 0.000 0.774 691 S HN 0.458 nan 8.310 nan 0.000 0.510 692 A N 3.313 126.099 122.820 -0.057 0.000 1.836 692 A HA 0.050 4.371 4.320 0.001 0.000 0.215 692 A C 1.352 178.933 177.584 -0.005 0.000 1.214 692 A CA 1.460 53.431 52.037 -0.111 0.000 0.636 692 A CB -1.601 17.274 19.000 -0.207 0.000 0.847 692 A HN 0.911 nan 8.150 nan 0.000 0.451 693 L N -1.727 119.513 121.223 0.028 0.000 2.652 693 L HA 0.422 4.763 4.340 0.001 0.000 0.284 693 L C 0.356 177.242 176.870 0.027 0.000 1.204 693 L CA 1.260 56.127 54.840 0.044 0.000 1.105 693 L CB -0.479 41.624 42.059 0.075 0.000 1.393 693 L HN 0.647 nan 8.230 nan 0.000 0.452 694 E N 0.683 120.894 120.200 0.019 0.000 2.662 694 E HA 0.049 4.399 4.350 0.001 0.000 0.205 694 E C 0.328 176.929 176.600 0.003 0.000 1.003 694 E CA 0.567 56.974 56.400 0.012 0.000 1.685 694 E CB 0.582 30.301 29.700 0.031 0.000 2.386 694 E HN 0.727 nan 8.360 nan 0.000 1.092 695 T N -1.507 113.058 114.554 0.018 0.000 2.940 695 T HA 0.394 4.745 4.350 0.001 0.000 0.288 695 T C 1.424 176.140 174.700 0.027 0.000 1.033 695 T CA -0.724 61.389 62.100 0.021 0.000 1.033 695 T CB 1.370 70.261 68.868 0.039 0.000 1.079 695 T HN 0.096 nan 8.240 nan 0.000 0.496 696 L N 1.246 122.490 121.223 0.035 0.000 1.990 696 L HA 0.003 4.343 4.340 0.001 0.000 0.213 696 L C -0.135 176.772 176.870 0.061 0.000 1.072 696 L CA 1.383 56.255 54.840 0.054 0.000 0.755 696 L CB -1.879 40.238 42.059 0.097 0.000 0.889 696 L HN 0.599 nan 8.230 nan 0.000 0.432 697 P HA -0.133 nan 4.420 nan 0.000 0.210 697 P C 1.670 179.037 177.300 0.113 0.000 1.192 697 P CA 2.068 65.219 63.100 0.086 0.000 0.913 697 P CB -0.263 31.479 31.700 0.069 0.000 0.774 698 G N 0.503 109.356 108.800 0.089 0.000 2.545 698 G HA2 -0.310 3.650 3.960 0.001 0.000 0.217 698 G HA3 -0.310 3.650 3.960 0.001 0.000 0.217 698 G C 1.920 176.894 174.900 0.123 0.000 1.218 698 G CA 1.474 46.632 45.100 0.097 0.000 0.787 698 G HN 0.274 nan 8.290 nan 0.000 0.571 699 R N 0.332 120.880 120.500 0.081 0.000 2.159 699 R HA -0.215 4.126 4.340 0.001 0.000 0.249 699 R C 2.410 178.772 176.300 0.103 0.000 1.136 699 R CA 2.184 58.328 56.100 0.073 0.000 0.951 699 R CB -0.552 29.767 30.300 0.032 0.000 0.876 699 R HN 0.466 nan 8.270 nan 0.000 0.440 700 E N -0.678 119.575 120.200 0.089 0.000 2.187 700 E HA -0.237 4.114 4.350 0.001 0.000 0.199 700 E C 1.638 178.315 176.600 0.128 0.000 1.004 700 E CA 1.427 57.872 56.400 0.074 0.000 0.813 700 E CB -0.162 29.574 29.700 0.059 0.000 0.736 700 E HN 0.393 nan 8.360 nan 0.000 0.468 701 F N 0.169 120.151 119.950 0.053 0.000 2.367 701 F HA -0.058 4.469 4.527 0.001 0.000 0.298 701 F C 1.740 177.574 175.800 0.057 0.000 1.094 701 F CA 0.189 58.222 58.000 0.056 0.000 1.409 701 F CB 0.019 39.046 39.000 0.045 0.000 1.064 701 F HN -0.045 nan 8.300 nan 0.000 0.528 702 I N -0.359 120.382 120.570 0.285 0.000 2.040 702 I HA -0.317 3.854 4.170 0.001 0.000 0.224 702 I C 2.026 178.218 176.117 0.126 0.000 1.038 702 I CA 1.665 63.067 61.300 0.169 0.000 1.330 702 I CB -1.339 36.720 38.000 0.098 0.000 1.076 702 I HN -0.058 nan 8.210 nan 0.000 0.388 703 F N 0.905 120.888 119.950 0.055 0.000 2.605 703 F HA -0.162 4.365 4.527 0.001 0.000 0.296 703 F C 2.094 177.974 175.800 0.134 0.000 1.146 703 F CA 0.696 58.749 58.000 0.089 0.000 1.478 703 F CB -0.640 38.439 39.000 0.132 0.000 1.107 703 F HN 0.105 nan 8.300 nan 0.000 0.600 704 A N 0.193 123.145 122.820 0.219 0.000 1.832 704 A HA -0.223 4.098 4.320 0.001 0.000 0.214 704 A C 2.092 179.644 177.584 -0.052 0.000 1.200 704 A CA 1.832 53.899 52.037 0.051 0.000 0.610 704 A CB -0.976 17.901 19.000 -0.204 0.000 0.842 704 A HN 0.428 nan 8.150 nan 0.000 0.444 705 N N -0.358 118.295 118.700 -0.079 0.000 2.080 705 N HA -0.138 4.602 4.740 0.001 0.000 0.189 705 N C 1.590 177.033 175.510 -0.112 0.000 1.036 705 N CA 1.535 54.535 53.050 -0.084 0.000 0.846 705 N CB -0.406 38.074 38.487 -0.012 0.000 1.015 705 N HN 0.252 nan 8.380 nan 0.000 0.423 706 L N 1.080 122.216 121.223 -0.145 0.000 2.270 706 L HA -0.198 4.143 4.340 0.001 0.000 0.217 706 L C 1.585 178.248 176.870 -0.346 0.000 1.107 706 L CA 1.777 56.415 54.840 -0.336 0.000 0.772 706 L CB -1.080 40.651 42.059 -0.547 0.000 0.902 706 L HN 0.336 nan 8.230 nan 0.000 0.439 707 D N 0.356 120.689 120.400 -0.111 0.000 2.088 707 D HA -0.235 4.405 4.640 0.001 0.000 0.196 707 D C 2.027 178.287 176.300 -0.066 0.000 0.983 707 D CA 1.888 55.899 54.000 0.017 0.000 0.846 707 D CB -0.012 40.770 40.800 -0.029 0.000 0.992 707 D HN 0.583 nan 8.370 nan 0.000 0.448 708 R N 0.333 120.781 120.500 -0.087 0.000 2.316 708 R HA 0.094 4.434 4.340 0.001 0.000 0.202 708 R C 1.971 178.215 176.300 -0.093 0.000 1.029 708 R CA 0.473 56.525 56.100 -0.081 0.000 1.018 708 R CB -0.247 30.008 30.300 -0.076 0.000 0.888 708 R HN 0.251 nan 8.270 nan 0.000 0.471 709 I N 0.907 121.400 120.570 -0.128 0.000 3.941 709 I HA 0.036 4.207 4.170 0.001 0.000 0.335 709 I C 1.222 177.203 176.117 -0.226 0.000 1.402 709 I CA -0.245 60.963 61.300 -0.153 0.000 1.112 709 I CB 0.323 38.232 38.000 -0.152 0.000 1.043 709 I HN 0.112 nan 8.210 nan 0.000 0.395 710 I N 1.980 122.417 120.570 -0.220 0.000 2.068 710 I HA -0.370 3.801 4.170 0.001 0.000 0.238 710 I C 2.667 178.640 176.117 -0.239 0.000 1.046 710 I CA 2.062 63.205 61.300 -0.261 0.000 1.306 710 I CB -1.006 36.908 38.000 -0.143 0.000 1.023 710 I HN 0.429 nan 8.210 nan 0.000 0.399 711 R N 0.914 121.318 120.500 -0.160 0.000 2.136 711 R HA -0.235 4.105 4.340 0.001 0.000 0.242 711 R C 2.379 178.559 176.300 -0.200 0.000 1.131 711 R CA 1.758 57.777 56.100 -0.135 0.000 0.937 711 R CB -1.301 28.950 30.300 -0.082 0.000 0.863 711 R HN 0.299 nan 8.270 nan 0.000 0.435 712 L N 0.925 122.017 121.223 -0.219 0.000 1.941 712 L HA -0.274 4.067 4.340 0.001 0.000 0.224 712 L C 2.497 178.900 176.870 -0.778 0.000 1.081 712 L CA 2.126 56.789 54.840 -0.296 0.000 0.784 712 L CB -0.513 41.446 42.059 -0.167 0.000 0.894 712 L HN 0.213 nan 8.230 nan 0.000 0.436 713 V N 0.254 119.597 119.914 -0.952 0.000 2.252 713 V HA -0.398 3.722 4.120 0.001 0.000 0.255 713 V C 2.348 177.920 176.094 -0.870 0.000 1.071 713 V CA 2.438 63.931 62.300 -1.344 0.000 1.050 713 V CB -0.662 30.711 31.823 -0.750 0.000 0.654 713 V HN 0.393 nan 8.190 nan 0.000 0.448 714 I N -0.367 119.932 120.570 -0.451 0.000 2.208 714 I HA -0.215 3.955 4.170 0.001 0.000 0.245 714 I C 2.564 178.623 176.117 -0.097 0.000 1.097 714 I CA 1.494 62.676 61.300 -0.195 0.000 1.363 714 I CB -0.762 37.162 38.000 -0.126 0.000 1.051 714 I HN 0.213 nan 8.210 nan 0.000 0.413 715 R N -0.875 119.535 120.500 -0.150 0.000 2.117 715 R HA -0.245 4.096 4.340 0.001 0.000 0.243 715 R C 2.257 178.648 176.300 0.152 0.000 1.143 715 R CA 1.586 57.682 56.100 -0.006 0.000 0.968 715 R CB -0.638 29.656 30.300 -0.009 0.000 0.863 715 R HN 0.275 nan 8.270 nan 0.000 0.444 716 Y N -0.108 120.254 120.300 0.102 0.000 1.938 716 Y HA -0.273 4.278 4.550 0.001 0.000 0.253 716 Y C 1.450 177.452 175.900 0.169 0.000 1.163 716 Y CA 0.913 59.102 58.100 0.148 0.000 1.086 716 Y CB -0.942 37.654 38.460 0.226 0.000 0.928 716 Y HN 0.018 nan 8.280 nan 0.000 0.493 717 F N 1.230 121.352 119.950 0.287 0.000 2.701 717 F HA 0.301 4.828 4.527 0.001 0.000 0.315 717 F C -0.140 175.733 175.800 0.121 0.000 1.277 717 F CA -1.336 56.773 58.000 0.182 0.000 1.180 717 F CB -0.465 38.651 39.000 0.194 0.000 1.273 717 F HN -0.208 nan 8.300 nan 0.000 0.532 718 T N 1.309 116.064 114.554 0.336 0.000 2.848 718 T HA 0.529 4.879 4.350 0.001 0.000 0.283 718 T C 0.747 175.597 174.700 0.250 0.000 0.919 718 T CA -0.075 62.165 62.100 0.233 0.000 1.071 718 T CB 0.373 69.318 68.868 0.127 0.000 0.912 718 T HN 0.534 nan 8.240 nan 0.000 0.570 719 G N 2.392 111.369 108.800 0.295 0.000 3.209 719 G HA2 0.422 4.382 3.960 0.001 0.000 0.236 719 G HA3 0.422 4.382 3.960 0.001 0.000 0.236 719 G C 0.530 175.511 174.900 0.136 0.000 1.329 719 G CA -1.042 44.208 45.100 0.250 0.000 1.015 719 G HN 0.584 nan 8.290 nan 0.000 0.571 720 N N -1.660 117.104 118.700 0.106 0.000 2.336 720 N HA 0.100 4.841 4.740 0.001 0.000 0.189 720 N C 1.202 176.747 175.510 0.057 0.000 1.113 720 N CA 0.370 53.459 53.050 0.066 0.000 0.858 720 N CB 0.697 39.210 38.487 0.042 0.000 0.970 720 N HN 0.479 nan 8.380 nan 0.000 0.471 721 R N -1.398 119.133 120.500 0.052 0.000 2.771 721 R HA 0.107 4.447 4.340 0.001 0.000 0.177 721 R C 0.543 176.840 176.300 -0.005 0.000 0.937 721 R CA 0.628 56.751 56.100 0.037 0.000 1.536 721 R CB -0.163 30.164 30.300 0.046 0.000 1.696 721 R HN 0.155 nan 8.270 nan 0.000 0.550 722 T N 1.107 115.621 114.554 -0.068 0.000 2.701 722 T HA -0.001 4.349 4.350 0.001 0.000 0.263 722 T C 1.869 176.515 174.700 -0.090 0.000 1.040 722 T CA 1.540 63.516 62.100 -0.206 0.000 1.147 722 T CB -0.348 68.106 68.868 -0.691 0.000 0.865 722 T HN 0.357 nan 8.240 nan 0.000 0.426 723 A N 1.369 124.191 122.820 0.004 0.000 1.883 723 A HA -0.118 4.202 4.320 0.001 0.000 0.217 723 A C 2.586 180.192 177.584 0.036 0.000 1.186 723 A CA 2.202 54.270 52.037 0.052 0.000 0.624 723 A CB -1.187 17.868 19.000 0.092 0.000 0.822 723 A HN 0.456 nan 8.150 nan 0.000 0.444 724 S N -1.016 114.707 115.700 0.038 0.000 2.399 724 S HA -0.183 4.287 4.470 0.001 0.000 0.231 724 S C 2.233 176.857 174.600 0.040 0.000 1.022 724 S CA 1.399 59.623 58.200 0.041 0.000 0.983 724 S CB -0.422 62.806 63.200 0.048 0.000 0.803 724 S HN 0.547 nan 8.310 nan 0.000 0.480 725 R N 0.514 121.031 120.500 0.028 0.000 2.075 725 R HA -0.018 4.323 4.340 0.001 0.000 0.226 725 R C 1.960 178.285 176.300 0.041 0.000 1.114 725 R CA 1.955 58.074 56.100 0.031 0.000 0.972 725 R CB -1.346 28.961 30.300 0.011 0.000 0.869 725 R HN 0.466 nan 8.270 nan 0.000 0.437 726 T N 1.620 116.196 114.554 0.037 0.000 2.821 726 T HA -0.105 4.245 4.350 0.001 0.000 0.267 726 T C 1.944 176.679 174.700 0.059 0.000 1.046 726 T CA 1.641 63.777 62.100 0.059 0.000 1.139 726 T CB -0.435 68.472 68.868 0.066 0.000 0.871 726 T HN 0.267 nan 8.240 nan 0.000 0.454 727 V N 1.266 121.209 119.914 0.047 0.000 2.261 727 V HA -0.184 3.937 4.120 0.001 0.000 0.246 727 V C 2.330 178.472 176.094 0.081 0.000 1.047 727 V CA 2.160 64.494 62.300 0.058 0.000 1.015 727 V CB -1.126 30.726 31.823 0.047 0.000 0.642 727 V HN 0.464 nan 8.190 nan 0.000 0.446 728 E N -0.221 120.020 120.200 0.069 0.000 2.273 728 E HA -0.286 4.065 4.350 0.001 0.000 0.198 728 E C 2.034 178.687 176.600 0.087 0.000 1.002 728 E CA 1.976 58.418 56.400 0.070 0.000 0.828 728 E CB -0.144 29.591 29.700 0.058 0.000 0.747 728 E HN 0.776 nan 8.360 nan 0.000 0.491 729 M N -0.838 118.821 119.600 0.098 0.000 2.447 729 M HA 0.005 4.485 4.480 0.001 0.000 0.266 729 M C 1.890 178.279 176.300 0.149 0.000 1.120 729 M CA 0.580 55.953 55.300 0.122 0.000 1.166 729 M CB 0.161 32.830 32.600 0.114 0.000 1.349 729 M HN 0.156 nan 8.290 nan 0.000 0.463 730 M N 0.967 120.664 119.600 0.161 0.000 2.099 730 M HA -0.117 4.363 4.480 0.001 0.000 0.262 730 M C 1.868 178.343 176.300 0.290 0.000 1.067 730 M CA 1.778 57.234 55.300 0.261 0.000 1.124 730 M CB -0.348 32.401 32.600 0.248 0.000 1.353 730 M HN 0.258 nan 8.290 nan 0.000 0.410 731 I N 0.595 121.287 120.570 0.204 0.000 2.068 731 I HA -0.277 3.893 4.170 0.001 0.000 0.238 731 I C -0.703 175.414 176.117 -0.000 0.000 1.046 731 I CA 1.525 62.883 61.300 0.096 0.000 1.306 731 I CB -2.143 35.908 38.000 0.084 0.000 1.023 731 I HN 0.209 nan 8.210 nan 0.000 0.399 732 P HA -0.035 nan 4.420 nan 0.000 0.244 732 P C 1.219 178.506 177.300 -0.021 0.000 1.211 732 P CA 1.022 64.134 63.100 0.020 0.000 0.760 732 P CB 0.132 31.883 31.700 0.085 0.000 0.961 733 V N -0.735 119.149 119.914 -0.050 0.000 3.151 733 V HA 0.051 4.171 4.120 0.001 0.000 0.241 733 V C 2.119 178.110 176.094 -0.172 0.000 1.173 733 V CA 0.713 62.954 62.300 -0.098 0.000 1.154 733 V CB -0.102 31.694 31.823 -0.044 0.000 0.898 733 V HN -0.024 nan 8.190 nan 0.000 0.473 734 I N 1.184 121.586 120.570 -0.280 0.000 3.941 734 I HA 0.201 4.372 4.170 0.001 0.000 0.321 734 I C 2.379 178.241 176.117 -0.425 0.000 1.284 734 I CA 1.188 62.221 61.300 -0.446 0.000 1.226 734 I CB -1.386 36.166 38.000 -0.747 0.000 1.045 734 I HN 0.310 nan 8.210 nan 0.000 0.420 735 G N 2.642 111.255 108.800 -0.313 0.000 2.442 735 G HA2 -0.201 3.759 3.960 0.001 0.000 0.219 735 G HA3 -0.201 3.759 3.960 0.001 0.000 0.219 735 G C 1.600 176.415 174.900 -0.141 0.000 1.141 735 G CA 0.765 45.744 45.100 -0.201 0.000 0.763 735 G HN 0.513 nan 8.290 nan 0.000 0.554 736 L N -1.625 119.516 121.223 -0.138 0.000 2.552 736 L HA 0.420 4.760 4.340 0.001 0.000 0.227 736 L C 1.702 178.505 176.870 -0.111 0.000 1.146 736 L CA 1.415 56.194 54.840 -0.101 0.000 0.858 736 L CB -0.019 41.990 42.059 -0.084 0.000 0.969 736 L HN 0.045 nan 8.230 nan 0.000 0.451 737 D N -1.042 119.252 120.400 -0.177 0.000 2.468 737 D HA -0.093 4.547 4.640 0.001 0.000 0.243 737 D C 2.111 178.312 176.300 -0.166 0.000 0.994 737 D CA 0.547 54.427 54.000 -0.200 0.000 0.932 737 D CB 0.156 40.771 40.800 -0.309 0.000 1.078 737 D HN 0.219 nan 8.370 nan 0.000 0.473 738 H N 0.294 119.292 119.070 -0.119 0.000 2.269 738 H HA 0.083 4.640 4.556 0.001 0.000 0.299 738 H C -1.054 174.230 175.328 -0.074 0.000 1.058 738 H CA 1.041 57.031 56.048 -0.097 0.000 1.246 738 H CB -2.007 27.682 29.762 -0.121 0.000 1.376 738 H HN 0.225 nan 8.280 nan 0.000 0.503 739 P HA 0.001 nan 4.420 nan 0.000 0.271 739 P C 0.103 177.436 177.300 0.054 0.000 1.220 739 P CA 0.098 63.212 63.100 0.024 0.000 0.768 739 P CB 0.419 32.111 31.700 -0.014 0.000 0.848 740 D N 2.225 122.625 120.400 0.001 0.000 2.392 740 D HA -0.096 4.545 4.640 0.001 0.000 0.228 740 D C 1.469 177.751 176.300 -0.030 0.000 1.003 740 D CA 0.619 54.591 54.000 -0.046 0.000 0.917 740 D CB -0.623 39.933 40.800 -0.406 0.000 0.890 740 D HN 0.269 nan 8.370 nan 0.000 0.532 741 A N 1.861 124.664 122.820 -0.028 0.000 1.915 741 A HA -0.380 3.940 4.320 0.001 0.000 0.220 741 A C 2.178 179.760 177.584 -0.003 0.000 1.198 741 A CA 2.375 54.403 52.037 -0.015 0.000 0.647 741 A CB -0.818 18.172 19.000 -0.017 0.000 0.825 741 A HN 0.576 nan 8.150 nan 0.000 0.456 742 E N -0.269 119.923 120.200 -0.012 0.000 2.070 742 E HA -0.275 4.075 4.350 0.001 0.000 0.197 742 E C 1.232 177.836 176.600 0.006 0.000 1.004 742 E CA 1.395 57.787 56.400 -0.013 0.000 0.805 742 E CB -0.718 28.960 29.700 -0.036 0.000 0.744 742 E HN 0.632 nan 8.360 nan 0.000 0.451 743 D N 1.704 122.124 120.400 0.034 0.000 2.088 743 D HA -0.156 4.484 4.640 0.001 0.000 0.191 743 D C 2.317 178.663 176.300 0.077 0.000 0.992 743 D CA 1.559 55.612 54.000 0.089 0.000 0.831 743 D CB -0.456 40.507 40.800 0.271 0.000 0.973 743 D HN 0.288 nan 8.370 nan 0.000 0.447 744 I N 1.144 121.766 120.570 0.087 0.000 2.290 744 I HA -0.286 3.885 4.170 0.001 0.000 0.253 744 I C 2.490 178.627 176.117 0.035 0.000 1.112 744 I CA 0.735 62.073 61.300 0.064 0.000 1.377 744 I CB -0.521 37.504 38.000 0.042 0.000 1.060 744 I HN -0.097 nan 8.210 nan 0.000 0.428 745 V N 0.753 120.680 119.914 0.022 0.000 2.221 745 V HA -0.262 3.858 4.120 0.001 0.000 0.242 745 V C 2.600 178.699 176.094 0.008 0.000 1.041 745 V CA 2.088 64.394 62.300 0.011 0.000 0.995 745 V CB -0.717 31.108 31.823 0.003 0.000 0.635 745 V HN 0.383 nan 8.190 nan 0.000 0.448 746 R N 0.368 120.871 120.500 0.005 0.000 2.237 746 R HA -0.167 4.173 4.340 0.001 0.000 0.219 746 R C 2.022 178.321 176.300 -0.002 0.000 1.080 746 R CA 1.422 57.521 56.100 -0.002 0.000 0.995 746 R CB -0.460 29.834 30.300 -0.009 0.000 0.875 746 R HN 0.667 nan 8.270 nan 0.000 0.462 747 N N 0.190 118.895 118.700 0.008 0.000 2.430 747 N HA -0.106 4.634 4.740 0.001 0.000 0.186 747 N C -0.102 175.410 175.510 0.004 0.000 1.032 747 N CA 0.537 53.591 53.050 0.006 0.000 0.893 747 N CB -0.012 38.495 38.487 0.032 0.000 0.957 747 N HN 0.176 nan 8.380 nan 0.000 0.442 748 I N -0.132 120.442 120.570 0.007 0.000 2.436 748 I HA 0.173 4.343 4.170 0.001 0.000 0.289 748 I C 1.235 177.354 176.117 0.003 0.000 1.083 748 I CA 0.035 61.339 61.300 0.008 0.000 1.372 748 I CB 1.123 39.129 38.000 0.009 0.000 1.408 748 I HN 0.222 nan 8.210 nan 0.000 0.516 749 G N 3.617 112.419 108.800 0.004 0.000 2.293 749 G HA2 0.006 3.967 3.960 0.001 0.000 0.180 749 G HA3 0.006 3.967 3.960 0.001 0.000 0.180 749 G C 0.119 175.024 174.900 0.009 0.000 1.517 749 G CA 0.063 45.165 45.100 0.003 0.000 0.645 749 G HN 0.503 nan 8.290 nan 0.000 1.119 750 S N -0.184 115.524 115.700 0.012 0.000 2.578 750 S HA 0.510 4.980 4.470 0.001 0.000 0.301 750 S C 0.594 175.206 174.600 0.021 0.000 1.091 750 S CA -0.517 57.694 58.200 0.018 0.000 1.032 750 S CB 1.759 64.973 63.200 0.024 0.000 1.064 750 S HN 0.152 nan 8.310 nan 0.000 0.508 751 K N 2.186 122.599 120.400 0.022 0.000 2.487 751 K HA 0.102 4.422 4.320 0.001 0.000 0.192 751 K C 0.534 177.151 176.600 0.028 0.000 1.027 751 K CA 0.436 56.737 56.287 0.023 0.000 1.054 751 K CB -0.016 32.496 32.500 0.021 0.000 0.824 751 K HN 0.460 nan 8.250 nan 0.000 0.510 752 N N 0.856 119.575 118.700 0.032 0.000 2.428 752 N HA 0.001 4.741 4.740 0.001 0.000 0.181 752 N C 1.708 177.242 175.510 0.040 0.000 1.028 752 N CA 0.521 53.594 53.050 0.038 0.000 0.877 752 N CB -0.056 38.457 38.487 0.043 0.000 1.064 752 N HN 0.148 nan 8.380 nan 0.000 0.434 753 I N -1.288 119.304 120.570 0.037 0.000 2.700 753 I HA -0.068 4.103 4.170 0.001 0.000 0.261 753 I C 1.228 177.366 176.117 0.034 0.000 1.219 753 I CA 1.032 62.353 61.300 0.035 0.000 1.463 753 I CB -0.218 37.798 38.000 0.028 0.000 1.092 753 I HN -0.098 nan 8.210 nan 0.000 0.452 754 S N 1.222 116.941 115.700 0.032 0.000 2.383 754 S HA -0.088 4.382 4.470 0.001 0.000 0.227 754 S C 1.944 176.565 174.600 0.035 0.000 1.026 754 S CA 1.761 59.979 58.200 0.030 0.000 0.981 754 S CB -0.310 62.906 63.200 0.026 0.000 0.818 754 S HN 0.576 nan 8.310 nan 0.000 0.472 755 M N 1.216 120.840 119.600 0.040 0.000 2.296 755 M HA -0.033 4.447 4.480 0.001 0.000 0.265 755 M C 1.831 178.162 176.300 0.051 0.000 1.064 755 M CA 1.424 56.753 55.300 0.048 0.000 1.109 755 M CB -0.249 32.384 32.600 0.056 0.000 1.396 755 M HN 0.408 nan 8.290 nan 0.000 0.430 756 G N -0.138 108.691 108.800 0.048 0.000 2.608 756 G HA2 -0.071 3.890 3.960 0.001 0.000 0.210 756 G HA3 -0.071 3.890 3.960 0.001 0.000 0.210 756 G C 1.142 176.069 174.900 0.045 0.000 1.139 756 G CA 0.043 45.172 45.100 0.049 0.000 0.812 756 G HN 0.410 nan 8.290 nan 0.000 0.529 757 L N 1.624 122.872 121.223 0.042 0.000 2.187 757 L HA 0.150 4.490 4.340 0.001 0.000 0.213 757 L C 2.822 179.714 176.870 0.036 0.000 1.100 757 L CA 1.911 56.775 54.840 0.041 0.000 0.765 757 L CB -0.457 41.624 42.059 0.036 0.000 0.904 757 L HN 0.212 nan 8.230 nan 0.000 0.437 758 A N -0.368 122.472 122.820 0.033 0.000 1.841 758 A HA -0.211 4.110 4.320 0.001 0.000 0.214 758 A C 2.277 179.877 177.584 0.026 0.000 1.195 758 A CA 1.779 53.831 52.037 0.027 0.000 0.611 758 A CB -0.533 18.483 19.000 0.027 0.000 0.835 758 A HN 0.470 nan 8.150 nan 0.000 0.443 759 K N -0.616 119.803 120.400 0.031 0.000 2.218 759 K HA -0.146 4.174 4.320 0.001 0.000 0.205 759 K C 1.843 178.463 176.600 0.034 0.000 1.046 759 K CA 1.055 57.360 56.287 0.030 0.000 0.933 759 K CB -0.344 32.177 32.500 0.036 0.000 0.728 759 K HN 0.515 nan 8.250 nan 0.000 0.454 760 G N 0.841 109.666 108.800 0.040 0.000 2.453 760 G HA2 -0.120 3.840 3.960 0.001 0.000 0.215 760 G HA3 -0.120 3.840 3.960 0.001 0.000 0.215 760 G C 1.390 176.309 174.900 0.033 0.000 1.147 760 G CA -0.006 45.123 45.100 0.048 0.000 0.802 760 G HN 0.033 nan 8.290 nan 0.000 0.535 761 I N 1.122 121.707 120.570 0.024 0.000 2.252 761 I HA -0.078 4.092 4.170 0.001 0.000 0.245 761 I C 2.456 178.575 176.117 0.004 0.000 1.102 761 I CA 1.121 62.428 61.300 0.011 0.000 1.385 761 I CB -0.863 37.143 38.000 0.010 0.000 1.064 761 I HN 0.335 nan 8.210 nan 0.000 0.414 762 E N 0.197 120.401 120.200 0.006 0.000 2.077 762 E HA -0.236 4.114 4.350 0.001 0.000 0.193 762 E C 2.273 178.871 176.600 -0.003 0.000 0.989 762 E CA 1.213 57.610 56.400 -0.004 0.000 0.800 762 E CB 0.112 29.809 29.700 -0.005 0.000 0.746 762 E HN 0.159 nan 8.360 nan 0.000 0.452 763 M N 0.518 120.127 119.600 0.014 0.000 2.254 763 M HA -0.068 4.412 4.480 0.001 0.000 0.265 763 M C 2.276 178.593 176.300 0.027 0.000 1.066 763 M CA 0.863 56.181 55.300 0.029 0.000 1.123 763 M CB -0.699 31.937 32.600 0.060 0.000 1.388 763 M HN 0.300 nan 8.290 nan 0.000 0.425 764 L N -0.054 121.178 121.223 0.015 0.000 2.012 764 L HA -0.237 4.103 4.340 0.001 0.000 0.210 764 L C 2.382 179.244 176.870 -0.015 0.000 1.073 764 L CA 1.753 56.590 54.840 -0.005 0.000 0.748 764 L CB -0.479 41.569 42.059 -0.018 0.000 0.891 764 L HN 0.270 nan 8.230 nan 0.000 0.431 765 A N -0.732 122.078 122.820 -0.016 0.000 1.883 765 A HA -0.196 4.124 4.320 0.001 0.000 0.217 765 A C 2.183 179.750 177.584 -0.027 0.000 1.186 765 A CA 2.026 54.048 52.037 -0.025 0.000 0.624 765 A CB -0.944 18.040 19.000 -0.027 0.000 0.822 765 A HN 0.337 nan 8.150 nan 0.000 0.444 766 V N 1.101 121.001 119.914 -0.023 0.000 2.287 766 V HA -0.282 3.838 4.120 0.001 0.000 0.248 766 V C 2.286 178.368 176.094 -0.020 0.000 1.053 766 V CA 2.169 64.452 62.300 -0.030 0.000 1.027 766 V CB -0.964 30.843 31.823 -0.027 0.000 0.646 766 V HN 0.577 nan 8.190 nan 0.000 0.447 767 N N -0.068 118.633 118.700 0.001 0.000 2.188 767 N HA -0.127 4.614 4.740 0.001 0.000 0.184 767 N C 1.996 177.494 175.510 -0.021 0.000 1.018 767 N CA 1.196 54.245 53.050 -0.001 0.000 0.858 767 N CB -0.310 38.176 38.487 -0.002 0.000 0.989 767 N HN 0.449 nan 8.380 nan 0.000 0.426 768 R N 1.359 121.843 120.500 -0.026 0.000 2.088 768 R HA -0.025 4.316 4.340 0.001 0.000 0.232 768 R C 2.137 178.422 176.300 -0.025 0.000 1.136 768 R CA 1.517 57.599 56.100 -0.029 0.000 0.926 768 R CB -0.029 30.252 30.300 -0.032 0.000 0.837 768 R HN 0.205 nan 8.270 nan 0.000 0.429 769 K N 0.593 120.976 120.400 -0.029 0.000 2.113 769 K HA -0.173 4.147 4.320 0.001 0.000 0.208 769 K C 2.053 178.638 176.600 -0.024 0.000 1.047 769 K CA 1.152 57.421 56.287 -0.030 0.000 0.928 769 K CB -0.320 32.155 32.500 -0.041 0.000 0.716 769 K HN 0.206 nan 8.250 nan 0.000 0.446 770 L N 1.428 122.636 121.223 -0.025 0.000 2.017 770 L HA -0.157 4.183 4.340 0.001 0.000 0.208 770 L C 2.120 178.996 176.870 0.010 0.000 1.073 770 L CA 1.620 56.451 54.840 -0.015 0.000 0.745 770 L CB -0.604 41.436 42.059 -0.031 0.000 0.894 770 L HN -0.017 nan 8.230 nan 0.000 0.432 771 V N 0.796 120.713 119.914 0.006 0.000 2.255 771 V HA -0.302 3.818 4.120 0.001 0.000 0.247 771 V C 2.685 178.785 176.094 0.010 0.000 1.051 771 V CA 2.060 64.369 62.300 0.015 0.000 1.018 771 V CB -0.717 31.106 31.823 -0.000 0.000 0.641 771 V HN 0.492 nan 8.190 nan 0.000 0.445 772 E N 0.918 121.116 120.200 -0.003 0.000 2.065 772 E HA -0.270 4.081 4.350 0.001 0.000 0.201 772 E C 2.265 178.865 176.600 -0.001 0.000 1.016 772 E CA 1.863 58.259 56.400 -0.006 0.000 0.818 772 E CB -0.386 29.306 29.700 -0.013 0.000 0.749 772 E HN 0.514 nan 8.360 nan 0.000 0.453 773 R N -0.216 120.286 120.500 0.003 0.000 2.200 773 R HA -0.076 4.264 4.340 0.001 0.000 0.234 773 R C 2.408 178.723 176.300 0.026 0.000 1.127 773 R CA 1.345 57.452 56.100 0.012 0.000 0.989 773 R CB -0.306 30.002 30.300 0.013 0.000 0.869 773 R HN 0.365 nan 8.270 nan 0.000 0.459 774 I N -0.154 120.433 120.570 0.030 0.000 2.385 774 I HA -0.127 4.043 4.170 0.001 0.000 0.244 774 I C 2.083 178.194 176.117 -0.011 0.000 1.089 774 I CA 0.423 61.736 61.300 0.022 0.000 1.410 774 I CB -0.147 37.878 38.000 0.042 0.000 1.117 774 I HN 0.003 nan 8.210 nan 0.000 0.429 775 R N 1.382 121.877 120.500 -0.008 0.000 2.514 775 R HA -0.121 4.220 4.340 0.001 0.000 0.216 775 R C 1.303 177.594 176.300 -0.015 0.000 1.295 775 R CA 0.570 56.661 56.100 -0.016 0.000 1.246 775 R CB -0.106 30.187 30.300 -0.011 0.000 1.057 775 R HN 0.473 nan 8.270 nan 0.000 0.490 776 Q N -2.433 117.360 119.800 -0.011 0.000 1.985 776 Q HA -0.010 4.331 4.340 0.001 0.000 0.221 776 Q C 1.052 177.049 176.000 -0.005 0.000 0.728 776 Q CA 0.112 55.910 55.803 -0.008 0.000 0.882 776 Q CB 0.540 29.275 28.738 -0.006 0.000 1.203 776 Q HN 0.188 nan 8.270 nan 0.000 0.441 777 T N -0.886 113.666 114.554 -0.003 0.000 3.007 777 T HA 0.171 4.521 4.350 0.001 0.000 0.270 777 T C 0.735 175.432 174.700 -0.004 0.000 1.107 777 T CA 1.459 63.562 62.100 0.005 0.000 1.118 777 T CB 0.050 68.930 68.868 0.019 0.000 0.889 777 T HN 0.367 nan 8.240 nan 0.000 0.506 778 A N -0.921 121.889 122.820 -0.016 0.000 2.441 778 A HA 0.495 4.815 4.320 0.001 0.000 0.209 778 A C 0.896 178.466 177.584 -0.023 0.000 1.645 778 A CA -0.073 51.953 52.037 -0.018 0.000 1.362 778 A CB 0.017 19.004 19.000 -0.022 0.000 1.035 778 A HN 0.293 nan 8.150 nan 0.000 0.487 779 V N -0.431 119.470 119.914 -0.023 0.000 3.137 779 V HA 0.347 4.468 4.120 0.001 0.000 0.236 779 V C 0.659 176.741 176.094 -0.019 0.000 1.260 779 V CA 1.552 63.838 62.300 -0.024 0.000 1.244 779 V CB 0.597 32.403 31.823 -0.029 0.000 1.016 779 V HN 0.452 nan 8.190 nan 0.000 0.477 780 K N 0.000 120.391 120.400 -0.015 0.000 2.780 780 K HA 0.000 4.320 4.320 0.001 0.000 0.191 780 K CA 0.000 56.279 56.287 -0.013 0.000 0.838 780 K CB 0.000 32.492 32.500 -0.013 0.000 1.064 780 K HN 0.000 nan 8.250 nan 0.000 0.543